SCHEMBL1801743

SCHEMBL1801743

O=C(c1cnc[nH]1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
HRH4 Q9H3N8 2/20 0.46
AOC1 P19801 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
GABRA1 P14867 1/20 0.38
NFKB1 P19838 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRR2 P28476 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
4-Imidazolecarboxylic Acid SCHEMBL17143063 0.82 HRH3 (0.53) HRH3HRH4AOC1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL3635857 0.79 HRH3 (0.54) HRH3HRH4AOC1NPC1RAB9A
SCHEMBL17143066 0.76 HRH3 (0.41) HRH3HRH4AOC1NPC1RAB9A
SCHEMBL11033825 0.75 GAA (0.51) HRH3AOC1NPC1RAB9ATP53
SCHEMBL9374142 0.73 AOC1 (0.41) HRH3HRH4AOC1NPC1RAB9A
4-Imidazolecarboxylic Acid SCHEMBL317725 0.73
SCHEMBL1664386 0.73
SCHEMBL9374083 0.72 AOC1 (0.40) HRH3AOC1NPC1RAB9ATP53
SCHEMBL455702 0.71
SCHEMBL890216 0.71

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 7 patents. 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
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 US disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 EP disclosed
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 EP disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 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 (3 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 HRH3 259/4885HRH4 186/4885AOC1 4200/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 HRH3 259/4885HRH4 186/4885AOC1 4200/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 HRH3 259/4885HRH4 186/4885AOC1 4200/4885

“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.