SCHEMBL3759579

SCHEMBL3759579

O=C(NC1=CC2(CCC2)Oc2ccccc21)Nc1cccc2nsnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
MAPT P10636 8/20 0.52
KMT2A Q03164 7/20 0.52
RAB9A P51151 6/20 0.52
MEN1 O00255 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 5/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
KDM4E B2RXH2 11/20 0.47
NPSR1 Q6W5P4 6/20 0.47
HPGD P15428 9/20 0.42
TSHR P16473 4/20 0.42
CASP1 P29466 4/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 5/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CASP7 P55210 2/20 0.41
HTT P42858 3/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3756316 0.74 PARP1 (0.46)
SCHEMBL3759582 0.72 TRPV1 (0.55) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL3764676 0.64 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3759622 0.64 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL15881215 0.64 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL14559557 0.64 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL19472829 0.61 MAPT (0.69) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL19472596 0.61 MAPT (0.83) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL4861625 0.61 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL620680 0.61 KDM4E (0.67) ALDH1A1MAPTKMT2ARAB9AMEN1

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 6 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 claimed
US-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-10-30 US claimed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 665/4885MAPT 3909/4885KMT2A 3797/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 ALDH1A1 665/4885MAPT 3909/4885KMT2A 3797/4885

“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.