SCHEMBL12358812

SCHEMBL12358812

C=C(O)c1ccccc1-c1ccc2[nH]c(C3CC3c3ccc(S(C)(=O)=O)cc3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 4/20 0.36
▸ PTGS2 P35354 3/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ FADS1 O60427 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35

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
SCHEMBL1800338 0.91 KMT2A (0.38) SCDPTGS2FADS1HCRTR1HCRTR2
SCHEMBL12358862 0.86 HCRTR1 (0.41) HTR2BROCK2HCRTR1HCRTR2
SCHEMBL1797369 0.84 TRPV1 (0.43) SCDPTGS2FADS1
SCHEMBL1795354 0.84 TRPV1 (0.36) SCDPTGS2NPBWR1FADS1HTR2B
SCHEMBL12359252 0.84 KDM1A (0.39) HTR2BROCK2HCRTR1HCRTR2
SCHEMBL1799054 0.84 TRPV1 (0.41) SCDFADS1HTR2B
SCHEMBL1798578 0.83 KDM1A (0.50) —
SCHEMBL12358842 0.81 SCD (0.56) SCDNPBWR1FADS1
SCHEMBL1794849 0.80 KDM1A (0.40) SCDFADS1
SCHEMBL1796271 0.79 BRD4 (0.41) HCRTR1HCRTR2

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 SCD 4754/4885PTGS2 1242/4885NPBWR1 1487/4885

“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.

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