SCHEMBL19002640

SCHEMBL19002640

COc1cc(CNC(C)(C)C)ccc1OCC(N)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
CYP2D6 P10635 6/20 0.60
ALDH1A1 P00352 6/20 0.60
CYP2C19 P33261 5/20 0.60
CYP1A2 P05177 3/20 0.60
MAPT P10636 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP3A4 P08684 2/20 0.58
HTT P42858 1/20 0.58
SNCA P37840 1/20 0.51
GAA P10253 3/20 0.51
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19002645 0.86 MEN1 (0.66) KMT2AMEN1CYP2D6ALDH1A1CYP2C19
SCHEMBL12403796 0.85 ALDH1A1 (0.57) KMT2AMEN1CYP2D6ALDH1A1MAPT
SCHEMBL19049561 0.85 MEN1 (0.65) KMT2AMEN1CYP2D6ALDH1A1CYP2C19
SCHEMBL18997677 0.84 CYP2D6 (0.46) KMT2AMEN1CYP2D6ALDH1A1CYP2C19
SCHEMBL21901116 0.83 MEN1 (0.65) KMT2AMEN1CYP2D6ALDH1A1CYP2C19
SCHEMBL7846219 0.77 SNCA (0.56) KMT2AMEN1CYP2D6ALDH1A1CYP2C19
SCHEMBL15840365 0.76 S1PR2 (0.52) KMT2AMEN1CYP2D6ALDH1A1KDM4E
SCHEMBL15652814 0.75 MAPT (0.60) KMT2AMEN1CYP2D6ALDH1A1CYP2C19
SCHEMBL12180472 0.75 ACHE (0.60) KMT2AMEN1CYP2D6ALDH1A1CYP2C19
SCHEMBL31527631 0.75 TRPV1 (0.55) KMT2AMEN1CYP2D6ALDH1A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2020-03-17 US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 US disclosed
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US disclosed
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC 2019-01-24 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885MEN1 1612/4885CYP2D6 4785/4885
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885MEN1 4080/4885CYP2D6 4551/4885
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 KMT2A 3181/4885MEN1 3536/4885CYP2D6 3985/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885MEN1 4080/4885CYP2D6 4551/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885MEN1 4080/4885CYP2D6 4551/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885MEN1 4080/4885CYP2D6 4551/4885
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885MEN1 1612/4885CYP2D6 4785/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885MEN1 1612/4885CYP2D6 4785/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KMT2A 4024/4885MEN1 1612/4885CYP2D6 4785/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885MEN1 1612/4885CYP2D6 4785/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885MEN1 1612/4885CYP2D6 4785/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS KMT2A 4024/4885MEN1 1612/4885CYP2D6 4785/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KMT2A 4024/4885MEN1 1612/4885CYP2D6 4785/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885MEN1 1612/4885CYP2D6 4785/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KMT2A 4024/4885MEN1 1612/4885CYP2D6 4785/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885MEN1 4080/4885CYP2D6 4551/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.