SCHEMBL5010480

SCHEMBL5010480

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
VCAM1 P19320 1/20 0.38
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ERN1 O75460 1/20 0.36
USP10 Q14694 1/20 0.36

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
SCHEMBL5010375 0.81 NOTUM (0.47) NOTUMHPGDKMT2AATMMEN1
SCHEMBL25449 0.78 MAPK1 (0.57) HPGDPOLBKMT2AMEN1VCAM1
SCHEMBL1554374 0.76 HPGD (0.45) HPGDPOLBKMT2AATMMEN1
SCHEMBL6305513 0.75 HPGD (0.49) HPGDKMT2AATMMEN1KDM4E
SCHEMBL4755850 0.73 MAPK1 (0.51) HPGDPOLBKMT2AMEN1MAPK1
SCHEMBL9096918 0.72 NOTUM (0.65) NOTUMHPGDKMT2AMEN1GPBAR1
SCHEMBL14301501 0.70 NPC1 (0.41) NOTUMPOLBKMT2AMEN1GPBAR1
SCHEMBL6350652 0.69 HPGD (0.50) HPGDPOLBKMT2AMEN1MAPK1
SCHEMBL15981916 0.68 HPGD (0.52) HPGDKMT2AMAPK1ALDH1A1GAA
SCHEMBL4611523 0.67 TSHR (0.63) NOTUMHPGDPOLBKMT2AMEN1

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 388/4885HPGD 3765/4885POLB 3038/4885

“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.