SCHEMBL3759622

SCHEMBL3759622

S=C(NC1=CC2(CCC2)Oc2ccccc21)Nc1cccc2cnccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.52
MAPT P10636 15/20 0.52
KDM4E B2RXH2 12/20 0.52
SMN1; SMN2 Q16637 10/20 0.52
KMT2A Q03164 6/20 0.52
LMNA P02545 5/20 0.49
NSD2 O96028 1/20 0.49
HTT P42858 5/20 0.47
MEN1 O00255 4/20 0.47
BLM P54132 3/20 0.47
HPGD P15428 2/20 0.47
THRB P10828 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3764676 0.92 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL3758877 0.72 TRPV1 (0.60) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL4575416 0.68 TRPV1 (0.79) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL619619 0.67 TRPV1 (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL6118422 0.67 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL15452715 0.65 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL3758650 0.65 TRPV1 (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL15446074 0.65 TRPV1 (0.76)
SCHEMBL616146 0.65 TRPV1 (0.76)
Hydrochloric Acid SCHEMBL3765639 0.64 TRPV1 (0.75)

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 3909/4885KDM4E 2842/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 ALDH1A1 665/4885MAPT 3909/4885KDM4E 2842/4885

“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.