SCHEMBL6801737

SCHEMBL6801737

CCOC(=O)c1nc(C)[nH]c1Cc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.47
▸ GABRG2 P18507 2/20 0.47
▸ GABRB3 P28472 2/20 0.47
▸ GABRA5 P31644 2/20 0.47
▸ GABRA3 P34903 2/20 0.47
▸ GABRA2 P47869 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL6799179 0.85 ITGA4 (0.51) CYP1A2CYP2A6PDE10A
SCHEMBL14511630 0.81 ALOX5 (0.49) GABRA2KDM4ENPC1KMT2AMEN1
SCHEMBL21771639 0.74 KDM4E (0.42) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL14109005 0.71 DHODH (0.60) KDM4ENPC1KMT2AMEN1ALDH1A1
SCHEMBL1919769 0.70 DHODH (0.50) KDM4ENPC1MAPK1ALDH1A1LMNA
SCHEMBL6494078 0.70 TARBP2 (0.56) GABRA2KDM4ENPC1KMT2AMEN1
SCHEMBL17225764 0.69 CYP19A1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7371424 0.69 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14511627 0.69 KDM4E (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3800271 0.68 GAA (0.56) NPC1KMT2AL3MBTL1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2004-05-20 — — US disclosed
US-6630493-B1 Inhibitors of capain enzymes useful for the treatment of ischemias of the heart, the kidney or of central nervous system (e.g. \"stroke\"), inflammations, muscular dystrophy, cataracts of the eyes, Alzheimer's disease etc. BASF AKTIENGESELLSCHAFT (DE) 2003-10-07 — — 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 (1 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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use CAPN1, CAPNS1, CAPN2 GABRA1 1983/4885GABRG2 2419/4885GABRB3 2470/4885

“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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