SCHEMBL12359252

SCHEMBL12359252

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.39
▸ HSPD1 P10809 1/20 0.34
▸ HSPE1 P61604 1/20 0.34
▸ BRD4 O60885 3/20 0.34
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ APOB P04114 2/20 0.31
▸ MTTP P55157 2/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ PTK2 Q05397 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ HTR2B P41595 1/20 0.30

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
SCHEMBL1795392 0.90 KDM1A (0.39) KDM1AHSPD1HSPE1BRD4IDO1
SCHEMBL1799444 0.87 KDM1A (0.42) KDM1AHSPD1HSPE1BRD4IDO1
SCHEMBL1800685 0.86 TRPV1 (0.42) KDM1AHSPD1HSPE1BRD4IDO1
SCHEMBL1801600 0.85 KDM1A (0.42) KDM1AHSPD1HSPE1BRD4TRPV1
SCHEMBL12358812 0.84 SCD (0.36) ROCK2HCRTR1HCRTR2HTR2B
SCHEMBL1796718 0.84 KDM1A (0.38) KDM1AHSPD1HSPE1BRD4IDO1
SCHEMBL12358861 0.84 MAPT (0.42) HSPD1HSPE1ALDH1A1LMNASMN1; SMN2
SCHEMBL1799974 0.84 KDM1A (0.46) KDM1ABRD4TRPV1ALOX5APFEN1
SCHEMBL1798976 0.83 KDM1A (0.43) KDM1ABRD4TRPV1ALOX5APFEN1
SCHEMBL1799568 0.81 ALOX5AP (0.38) KDM1ABRD4IDO1TRPV1ALOX5AP

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 KDM1A 1102/4885HSPD1 3190/4885HSPE1 2948/4885

“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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