SCHEMBL619666

SCHEMBL619666

O=C(Nc1cccc2c(=O)[nH]ccc12)Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.65
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
TRPV1 Q8NER1 1/20 0.52
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
BRD4 O60885 1/20 0.49
TNKS O95271 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PTGS2 P35354 1/20 0.47

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
SCHEMBL27747134 0.87 PARP1 (0.55) PARP1ALDH1A1CYP1A2TRPV1KMT2A
SCHEMBL8154848 0.85 TRPV1 (0.66) ALDH1A1CYP1A2TRPV1KMT2AHSD17B10
SCHEMBL1312094 0.78 TRPV1 (0.74) ALDH1A1CYP1A2TRPV1KMT2A
SCHEMBL896527 0.76 JAK2 (0.54) ALDH1A1CYP1A2TRPV1KMT2A
SCHEMBL17942780 0.72 MAOB (0.54) ALDH1A1CYP1A2TRPV1KMT2AHSD17B10
SCHEMBL1735617 0.72 TRPV1 (0.51) ALDH1A1CYP1A2TRPV1KMT2A
SCHEMBL3201877 0.72 TRPV1 (0.51) ALDH1A1CYP1A2TRPV1KMT2A
SCHEMBL11076373 0.71 KMT2A (0.58) ALDH1A1CYP1A2TRPV1KMT2A
SCHEMBL13462392 0.71 ALDH1A1 (0.55) ALDH1A1CYP1A2TRPV1KMT2A
SCHEMBL3144214 0.71 MEN1 (0.61) ALDH1A1CYP1A2TRPV1KMT2A

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
EP-1931681-B1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS SA (CH) 2012-11-14 EP disclosed
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-01 US disclosed
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-01-27 US disclosed
US-7842703-B2 Substituted benzofused derivatives and their use as vanilloid receptor ligands GLENMARK PHARMACEUTICALS S.A. (CH) 2010-11-30 US disclosed
US-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-10-30 US disclosed
EP-1931681-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Glenmark Pharmaceuticals S.A. (CH) 2008-06-18 EP disclosed
WO-2007042906-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2007-04-19 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 (4 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-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV6 PARP1 3865/4885ALDH1A1 665/4885CYP1A2 1012/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 PARP1 3878/4885ALDH1A1 604/4885CYP1A2 949/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 PARP1 3878/4885ALDH1A1 604/4885CYP1A2 949/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 PARP1 3865/4885ALDH1A1 665/4885CYP1A2 1012/4885

“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.