SCHEMBL620680

SCHEMBL620680

O=C(Nc1cccc2nsnc12)Oc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.67
ALDH1A1 P00352 11/20 0.67
HPGD P15428 9/20 0.67
HSD17B10 Q99714 4/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
TSHR P16473 2/20 0.67
CASP1 P29466 2/20 0.67
CASP7 P55210 2/20 0.67
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
MAPT P10636 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 4/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
PKM P14618 2/20 0.50

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
SCHEMBL896641 0.78 KMT2A (0.48) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL8154848 0.74 TRPV1 (0.66) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2398063 0.73 KDR (0.63) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL30296579 0.73 MAPT (0.59) KDM4EALDH1A1HPGDL3MBTL1CASP1
SCHEMBL12217966 0.73 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL4861625 0.72 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL11076373 0.72 KMT2A (0.58) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7209831 0.72 TP53 (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3144214 0.72 MEN1 (0.61) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL19478571 0.72 HPGD (0.70) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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 KDM4E 2842/4885ALDH1A1 665/4885HPGD 401/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM4E 2871/4885ALDH1A1 604/4885HPGD 333/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM4E 2871/4885ALDH1A1 604/4885HPGD 333/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM4E 2842/4885ALDH1A1 665/4885HPGD 401/4885

“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.