SCHEMBL4435544

SCHEMBL4435544

Cc1nc(-c2ccc(C(=O)Nc3ccc4cccnc4c3)cc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.65
RAB9A P51151 13/20 0.65
KDM4E B2RXH2 6/20 0.65
NFKB1 P19838 3/20 0.65
NFKB2 Q00653 3/20 0.65
RELA Q04206 3/20 0.65
MAPT P10636 3/20 0.65
ALDH1A1 P00352 3/20 0.65
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MAPK1 P28482 2/20 0.64
POLB P06746 2/20 0.64
RXFP1 Q9HBX9 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
TRPV1 Q8NER1 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
PKM P14618 2/20 0.54
STAT1 P42224 2/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL4433847 0.82 MEN1 (0.73) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL4423337 0.81 MEN1 (0.65) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL4428905 0.81 TRPV1 (0.76) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL4427491 0.80 MEN1 (0.67) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL4432764 0.79 MEN1 (0.65) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL4428142 0.79 MEN1 (0.65) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL16404739 0.79 RAB9A (0.85) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL27885076 0.79 NFKB1 (1.00) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL16217072 0.79 RAB9A (1.00) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL4426914 0.78 MEN1 (0.64) NPC1RAB9AKDM4ENFKB1NFKB2

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 8 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-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 NPC1 784/4885RAB9A 1477/4885KDM4E 3923/4885

“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.