SCHEMBL4279936

SCHEMBL4279936

Cc1[nH]nc(C(=O)NC2CCCC2)c1NC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.54
NPC1 O15118 9/20 0.54
CCNA2 P20248 2/20 0.49
CDK2 P24941 2/20 0.49
CCNA1 P78396 2/20 0.49
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADORA1 P30542 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL4281598 0.77 SMN1; SMN2 (0.48) RAB9ANPC1KDM4EHPGDSMN1; SMN2
SCHEMBL5269272 0.76 KDM4E (0.55) RAB9ANPC1CCNA2CDK2CCNA1
SCHEMBL161227 0.74 NPC1 (0.72) RAB9ANPC1KDM4ECYP1A2HPGD
SCHEMBL24673320 0.73 NPC1 (0.73) RAB9ANPC1KDM4ECYP1A2HPGD
SCHEMBL307051 0.73 NPC1 (0.73) RAB9ANPC1KDM4ECYP1A2HPGD
SCHEMBL5168314 0.73 NPC1 (0.73) RAB9ANPC1KDM4ECYP1A2HPGD
SCHEMBL23594174 0.73 NPC1 (0.73) RAB9ANPC1KDM4ECYP1A2HPGD
SCHEMBL8396558 0.73 NPC1 (0.73) RAB9ANPC1KDM4ECYP1A2HPGD
SCHEMBL12962652 0.72 NPC1 (0.38) RAB9ANPC1CDK2
Hydrochloric Acid SCHEMBL3747209 0.71 NPC1 (0.71) RAB9ANPC1KDM4ECYP1A2HPGD

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP RAB9A 291/4885NPC1 1266/4885CCNA2 1061/4885

“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.