SCHEMBL618197

SCHEMBL618197

CN1Cc2c(cccc2[N+](=O)[O-])N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 1/20 0.39
GAA P10253 3/20 0.39
HSD17B10 Q99714 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL29059165 0.80 POLB (0.44) TDP1TSHRSMN1; SMN2GAALMNA
SCHEMBL13545419 0.78 BRD4 (0.49) TDP1TSHRSMN1; SMN2GPR35GAA
SCHEMBL3594499 0.72 ACE (0.40) TDP1TSHRSMN1; SMN2GAALMNA
SCHEMBL8329051 0.70 TDP1 (0.46) TDP1TSHRSMN1; SMN2GPR35GAA
SCHEMBL2062373 0.69 BAZ2B (0.44) TAS1R3TAS1R1TAS1R2LMNAMAPT
SCHEMBL256723 0.68 MAPT (0.45) TDP1TSHRSMN1; SMN2GPR35GAA
SCHEMBL31598720 0.68 S100A4 (0.46) TDP1TSHRSMN1; SMN2GPR35GAA
SCHEMBL5906644 0.68 S100A4 (0.46) TDP1TSHRSMN1; SMN2GPR35GAA
SCHEMBL2103994 0.68 ALDH1A1 (0.44) TDP1TSHRSMN1; SMN2GAALMNA
SCHEMBL27858952 0.68 ALDH1A1 (0.45) TDP1TSHRSMN1; SMN2GPR35GAA

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 9 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
CN-101321766-A Substituted benzofused derivatives and their use as vanilloid receptor ligands GLENMARK PHARMACEUTICALS SA (CH) 2008-12-10 CN 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 TDP1 4634/4885TSHR 1188/4885SMN1; SMN2 3967/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TDP1 4630/4885TSHR 1246/4885SMN1; SMN2 3924/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TDP1 4630/4885TSHR 1246/4885SMN1; SMN2 3924/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TDP1 4634/4885TSHR 1188/4885SMN1; SMN2 3967/4885

“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.