SCHEMBL4434499

SCHEMBL4434499

O=C(Nc1ccc2ncccc2c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.85
NPC1 O15118 8/20 0.74
RAB9A P51151 7/20 0.74
POLB P06746 3/20 0.74
MMP9 P14780 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
ALDH1A1 P00352 1/20 0.66
CASP3 P42574 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPT P10636 1/20 0.63
TRPV1 Q8NER1 1/20 0.62
KDR P35968 1/20 0.59
MMP1 P03956 1/20 0.56
NAMPT P43490 2/20 0.56
HTT P42858 1/20 0.56
STAT3 P40763 1/20 0.56

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
SCHEMBL29429748 0.92 PABPC1 (1.00) PABPC1NPC1RAB9APOLBMMP9
SCHEMBL6978685 0.92 PABPC1 (1.00) PABPC1NPC1RAB9APOLBMMP9
SCHEMBL14082581 0.90 PABPC1 (0.69) PABPC1NPC1RAB9APOLBMMP9
SCHEMBL4428905 0.90 TRPV1 (0.76) PABPC1NPC1RAB9APOLBMMP9
SCHEMBL14082279 0.89 PABPC1 (0.79) PABPC1NPC1RAB9APOLBMMP9
SCHEMBL774681 0.88 PABPC1 (0.65) PABPC1NPC1RAB9APOLBMMP9
SCHEMBL19631378 0.86 PABPC1 (0.80) PABPC1NPC1RAB9APOLBMMP9
SCHEMBL29647732 0.86 PABPC1 (0.80) PABPC1NPC1RAB9APOLBMMP9
SCHEMBL5661569 0.86 NPC1 (0.81) PABPC1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL14083563 0.84 PABPC1 (0.67) PABPC1NPC1RAB9APOLBMMP9

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 9 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
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
EP-1480954-B1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-12-03 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 PABPC1 3444/4885NPC1 784/4885RAB9A 1477/4885

“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.