SCHEMBL13338300

SCHEMBL13338300

CC(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.69
▸ LMNA P02545 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ PDE10A Q9Y233 1/20 0.69
▸ TSHR P16473 1/20 0.68
▸ DHODH Q02127 3/20 0.66
▸ TACR3 P29371 8/20 0.64
▸ CYP3A4 P08684 2/20 0.59
▸ POLB P06746 1/20 0.58
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ PTGER4 P35408 1/20 0.56

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
SCHEMBL6209856 0.83 KDM4E (0.76) KDM4ELMNASMN1; SMN2PDE10ATSHR
Cinchophen SCHEMBL25519 0.82 KDM4E (1.00) KDM4ELMNASMN1; SMN2PDE10ADHODH
Cinchophen SCHEMBL7588217 0.82 KDM4E (1.00) KDM4ELMNASMN1; SMN2PDE10ADHODH
Cinchophen SCHEMBL29376617 0.82 KDM4E (1.00) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL28957908 0.81 MEN1 (0.62) KDM4ELMNASMN1; SMN2CYP3A4MEN1
SCHEMBL28672244 0.81 KDM4E (0.64) KDM4ELMNASMN1; SMN2PDE10ATSHR
SCHEMBL29859762 0.81 TSHR (1.00) KDM4ELMNASMN1; SMN2PDE10ATSHR
Cinchophen SCHEMBL10757475 0.81 KDM4E (0.97) KDM4ELMNASMN1; SMN2PDE10ADHODH
Cinchophen SCHEMBL4464779 0.81 KDM4E (0.97) KDM4ELMNASMN1; SMN2PDE10ADHODH
Cinchophen SCHEMBL4805149 0.81 KDM4E (0.97) KDM4ELMNASMN1; SMN2PDE10ADHODH

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 5 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-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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 — — US disclosed
US-20100129800-A1 POLYMERS AND THEIR USE AS FLUORESCENT LABELS AYMAMI BOFARULL JUAN 2010-05-27 — — 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 (5 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-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 KDM4E 3392/4885LMNA 3509/4885SMN1; SMN2 4331/4885
US-20100129800-A1 POLYMERS AND THEIR USE AS FLUORESCENT LABELS CBR3, H1-0, H1-3 KDM4E 3889/4885LMNA 80/4885SMN1; SMN2 3821/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KDM4E 4215/4885LMNA 3109/4885SMN1; SMN2 3555/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS KDM4E 4215/4885LMNA 3109/4885SMN1; SMN2 3555/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 KDM4E 3392/4885LMNA 3509/4885SMN1; SMN2 4331/4885

“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.

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