SCHEMBL5010375

SCHEMBL5010375

COC(=O)c1ccc(N(C)C(=O)c2cc(N)[nH]n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 3/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
MAP2K4 P45985 2/20 0.38
RAB9A P51151 1/20 0.38
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL18704521 0.81 KDM4E (0.46) KDM4ETSHRNPC1MAPTATM
SCHEMBL5010480 0.81 NOTUM (0.43) NOTUMGPBAR1KDM4EALDH1A1MAPK1
SCHEMBL9096918 0.75 NOTUM (0.65) NOTUMGPBAR1KDM4EALDH1A1MAPK1
SCHEMBL1009738 0.75 MAPK1 (0.65) KDM4EMAPK1GAATSHRNPC1
Hydrochloric Acid SCHEMBL14785045 0.74 MAPK1 (0.62) KDM4EMAPK1GAATSHRNPC1
Ammonia Solution, Strong SCHEMBL1009944 0.74 MAPK1 (0.62) KDM4EMAPK1GAATSHRNPC1
SCHEMBL5010372 0.73 ALDH1A1 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL14301501 0.73 NPC1 (0.41) NOTUMGPBAR1ALDH1A1SMN1; SMN2NPC1
SCHEMBL1555821 0.73 MAPK1 (0.38) MAPK1TSHRNPC1RAB9ATDP1
SCHEMBL7063998 0.72 MAPT (0.55) KDM4EALDH1A1MAPK1GAASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NOTUM 388/4885GPBAR1 2109/4885KDM4E 3446/4885

“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.