SCHEMBL879570

SCHEMBL879570

C/C=C/C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
KDR P35968 4/20 0.59
RAB9A P51151 10/20 0.59
NPC1 O15118 9/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
POLB P06746 2/20 0.59
MAPT P10636 2/20 0.59
HSD17B10 Q99714 3/20 0.58
LMNA P02545 2/20 0.58
TSHR P16473 2/20 0.58
MITF O75030 1/20 0.58
XBP1 P17861 1/20 0.58
PAX8 Q06710 1/20 0.58
KLF5 Q13887 1/20 0.58
ALDH1A1 P00352 3/20 0.56
TRPV1 Q8NER1 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PIK3CD O00329 1/20 0.54
NOTUM Q6P988 1/20 0.54
TP53 P04637 1/20 0.53

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
SCHEMBL13991500 0.83 KDR (0.60) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL16101601 0.83 KDR (0.60) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL4018954 0.82 KDR (0.62) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL29965933 0.82 KDR (0.62) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL13991503 0.82 RAB9A (0.65) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL879571 0.80 KDM4E (0.70) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL27866684 0.80 NPC1 (0.80) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL846062 0.79 TRPV1 (0.67) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL846063 0.79 TRPV1 (0.67) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL651159 0.79 KDR (0.74) KDM4EKDRRAB9ANPC1SMN1; SMN2

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 5 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
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
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US 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 KDM4E 3604/4885KDR 704/4885RAB9A 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.