SCHEMBL5010816

SCHEMBL5010816

O=C(Nc1cnccn1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 2/20 0.49
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.42
PPARG P37231 1/20 0.40
KDM4E B2RXH2 4/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
PYGL P06737 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL14587681 0.84 NTRK1 (0.51) RAB9ANPC1KMT2AMEN1PPARG
Hydrochloric Acid SCHEMBL5010487 0.83 NPC1 (0.56) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL3822963 0.80 PYGL (0.50) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL14587663 0.78 NPC1 (0.41) RAB9ANPC1KMT2AMEN1PPARG
SCHEMBL14298461 0.77 GAA (0.53) RAB9AKMT2APPARGPOLBALDH1A1
SCHEMBL5012183 0.77 NPC1 (0.55) RAB9ANPC1KMT2AMEN1PPARG
SCHEMBL5008188 0.77 MEN1 (0.53) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL5010442 0.76 NPC1 (0.49) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL14587723 0.76 PPARG (0.47) KMT2AMEN1PPARGSMN1; SMN2HSD17B10
SCHEMBL14587704 0.76 NTRK1 (0.45) RAB9ANPC1KMT2AMEN1MAPT

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 6 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 claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
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 RAB9A 2748/4885NPC1 2838/4885KMT2A 4487/4885

“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.