SCHEMBL12359141

SCHEMBL12359141

NSc1ccccc1-c1ccc2[nH]c([C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.38
▸ KDM1A O60341 4/20 0.36
▸ MAOB P27338 2/20 0.36
▸ LPAR2 Q9HBW0 1/20 0.35
▸ TRPV1 Q8NER1 10/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ DGAT1 O75907 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12359084 0.87 CHRNA1 (0.36) ROCK2KDM1AMAOBLPAR2NPY5R
SCHEMBL12653222 0.86 ROCK2 (0.37) ROCK2KDM1AMAOBLPAR2TRPV1
SCHEMBL1800337 0.85 CHUK (0.40) ROCK2KDM1ALPAR2TRPV1NPY5R
SCHEMBL1797750 0.83 TRPV1 (0.52) ROCK2TRPV1NPY5R
SCHEMBL1798709 0.83 TRPV1 (0.52) ROCK2TRPV1NPY5R
SCHEMBL1797596 0.83 TRPV1 (0.52) ROCK2TRPV1NPY5R
SCHEMBL1799978 0.83 PARP1 (0.43) ROCK2LPAR2TRPV1KCNH2PARP1
SCHEMBL1800621 0.83 TRPV1 (0.52) ROCK2TRPV1NPY5R
SCHEMBL1797782 0.83 POLB (0.45) ROCK2TRPV1NPY5R
SCHEMBL1796493 0.83 TRPV1 (0.52) ROCK2TRPV1NPY5R

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 ROCK2 4179/4885KDM1A 1102/4885MAOB 2944/4885

“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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