SCHEMBL4435934

SCHEMBL4435934

COc1cc(-c2ccccc2)ccc1C(=O)Nc1ccc2cccnc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
TRPV1 Q8NER1 1/20 0.55
P2RY14 Q15391 1/20 0.51
NOTUM Q6P988 1/20 0.50
MCHR1 Q99705 1/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
NR1H4 Q96RI1 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 2/20 0.48
THRB P10828 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TNIK Q9UKE5 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4427488 0.86 TRPV1 (0.61) NPC1RAB9AKMT2AMEN1TRPV1
SCHEMBL4432766 0.81 TRPV1 (0.64) NPC1RAB9AKMT2AMEN1TRPV1
SCHEMBL4428905 0.81 TRPV1 (0.76) NPC1RAB9AKMT2AMEN1TRPV1
SCHEMBL4428821 0.79 MEN1 (0.61) NPC1RAB9AKMT2AMEN1TRPV1
SCHEMBL4422133 0.78 TRPV1 (0.66) NPC1RAB9AKMT2AMEN1TRPV1
SCHEMBL18132530 0.77 MEN1 (0.61) NPC1RAB9AKMT2AMEN1TRPV1
SCHEMBL7101847 0.75 PABPC1 (0.79) NPC1RAB9AKMT2AMEN1TRPV1
SCHEMBL4428142 0.75 MEN1 (0.65) NPC1RAB9AKMT2AMEN1TRPV1
SCHEMBL6360192 0.74 RAB9A (0.64) NPC1RAB9AKMT2AMEN1TRPV1
SCHEMBL4434225 0.74 MEN1 (0.58) NPC1RAB9AKMT2AMEN1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 NPC1 784/4885RAB9A 1477/4885KMT2A 3992/4885

“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.