SCHEMBL21740808

SCHEMBL21740808

COc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
PDK2 Q15119 1/20 0.46
TYR P14679 1/20 0.45
NAMPT P43490 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GFER P55789 1/20 0.44
ACHE P22303 3/20 0.44
PDE4B Q07343 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL21740804 0.89 ACHE (0.52) MAPTNPSR1LMNAPDK2TYR
SCHEMBL19002643 0.85 GFER (0.53) MAPTLMNATYRGAAHTT
SCHEMBL1911866 0.84 PDK2 (0.46) MAPTNPSR1LMNAPDK2NAMPT
SCHEMBL13417644 0.83 CCR1 (0.57) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL12312306 0.83 NPSR1 (0.46) MAPTNPSR1LMNAPDK2NAMPT
SCHEMBL14747867 0.82 CCR1 (0.45) MAPTNPSR1LMNAPDK2NAMPT
SCHEMBL19002644 0.81 TP53 (0.53) MAPTNPSR1LMNAPDK2TYR
SCHEMBL1911915 0.81 PDK2 (0.44) MAPTNPSR1LMNAPDK2NAMPT
SCHEMBL12312123 0.79 SIRT6 (0.67) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL8325259 0.79 L3MBTL1 (0.68) MAPTLMNAGAAHTTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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

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

For each of this compound's patents that has machine-readable text (4 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-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS MAPT 4169/4885NPSR1 4353/4885LMNA 3109/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS MAPT 4169/4885NPSR1 4353/4885LMNA 3109/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS MAPT 4169/4885NPSR1 4353/4885LMNA 3109/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS MAPT 4169/4885NPSR1 4353/4885LMNA 3109/4885

“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.