SCHEMBL845883

SCHEMBL845883

Nc1ccccc1C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.66
TMPRSS4 Q9NRS4 1/20 0.62
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
ALDH1A1 P00352 1/20 0.61
KDM4E B2RXH2 2/20 0.60
MITF O75030 1/20 0.60
XBP1 P17861 1/20 0.60
PAX8 Q06710 1/20 0.60
KLF5 Q13887 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 2/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
FLT1 P17948 1/20 0.58
TRPV1 Q8NER1 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
POLB P06746 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
SCHEMBL14917446 0.87 NPC1 (0.67) KDRTMPRSS4NPC1RAB9AALDH1A1
SCHEMBL23258481 0.86 KDR (0.66) KDRTMPRSS4NPC1RAB9AALDH1A1
SCHEMBL2077491 0.84 TMPRSS4 (0.74) KDRTMPRSS4NPC1RAB9AALDH1A1
SCHEMBL846608 0.81 KDR (0.65) KDRTMPRSS4NPC1RAB9AALDH1A1
SCHEMBL845978 0.81 KDR (0.79) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL17610490 0.81 KDR (0.74) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL995474 0.80 KDR (1.00) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL4246331 0.80 KDR (0.57) KDRTMPRSS4NPC1RAB9AALDH1A1
SCHEMBL3994400 0.79 NPSR1 (0.71) KDRTMPRSS4NPC1RAB9AALDH1A1
SCHEMBL27866684 0.79 NPC1 (0.80) KDRNPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 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-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 KDR 704/4885TMPRSS4 577/4885NPC1 1518/4885

“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.