SCHEMBL846420

SCHEMBL846420

Nc1cccc(C(=O)Nc2cnc3ccccc3c2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.75
NPC1 O15118 8/20 0.67
RAB9A P51151 8/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
ALDH1A1 P00352 5/20 0.66
KDM4E B2RXH2 3/20 0.64
MITF O75030 1/20 0.64
XBP1 P17861 1/20 0.64
PAX8 Q06710 1/20 0.64
KLF5 Q13887 1/20 0.64
TRPV1 Q8NER1 4/20 0.62
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.61
USP2 O75604 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
THRB P10828 1/20 0.61
MAPK1 P28482 1/20 0.61
LMNA P02545 2/20 0.58
PKM P14618 1/20 0.58

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
SCHEMBL845978 0.86 KDR (0.79) KDRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL995474 0.86 KDR (1.00) KDRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6791314 0.84 KDR (0.59) KDRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19662759 0.84 NPC1 (0.76) KDRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17610490 0.84 KDR (0.74) KDRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21237275 0.81 TRPV1 (0.80) KDRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL846075 0.81 NPC1 (0.71) KDRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4936436 0.80 NPC1 (1.00) KDRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19616459 0.80 KDR (0.81) KDRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29647749 0.80 KDR (0.81) KDRNPC1RAB9ASMN1; SMN2ALDH1A1

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 704/4885NPC1 1518/4885RAB9A 2453/4885

“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.