SCHEMBL12359084

SCHEMBL12359084

NSc1ccccc1-c1ccc2[nH]c(C3CC3c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 1/20 0.36
▸ CHRNG P07510 1/20 0.36
▸ ITGA5 P08648 1/20 0.36
▸ CHRNB1 P11230 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ CHRND Q07001 1/20 0.36
▸ ROCK1 Q13464 1/20 0.35
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ PDE10A Q9Y233 4/20 0.32
▸ LPAR2 Q9HBW0 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL12359141 0.87 ROCK2 (0.38) KDM1AMAOBLPAR2ROCK2NPY5R
SCHEMBL1794842 0.82 TRPV1 (0.42) CHRNA1CHRNGITGA5CHRNB1CHRNB2
SCHEMBL1796912 0.80 CHRNA1 (0.39) CHRNA1CHRNGITGA5CHRNB1CHRNB2
SCHEMBL1797611 0.80 TRPV1 (0.50) CHRNA1CHRNGITGA5CHRNB1CHRNB2
SCHEMBL1797327 0.80 HCRTR1 (0.39) CHRNA1CHRNGITGA5CHRNB1CHRNB2
SCHEMBL1796485 0.80 TRPV1 (0.52) KDM1ABRD4
SCHEMBL1799917 0.76 TRPV1 (0.40) CHRNA1CHRNGITGA5CHRNB1CHRNB2
SCHEMBL12653222 0.74 ROCK2 (0.37) KDM1AMAOBLPAR2ROCK2NPY5R
SCHEMBL12653103 0.74 MEN1 (0.57) NPC1RAB9AKDM4EGLATP53
SCHEMBL12350593 0.74 KDM1A (0.42) KDM1AMAOBPDE10AROCK2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — 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 (1 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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 CHRNA1 513/4885CHRNG 2704/4885ITGA5 1139/4885

“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.

Send feedback