SCHEMBL3242203

SCHEMBL3242203

Nc1cnc(-c2ccccc2C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
EIF4E P06730 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
CYP1A2 P05177 5/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 4/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
TGFBR1 P36897 1/20 0.40
ATR Q13535 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39

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
SCHEMBL2308639 1.00 KMO (0.44) KMOEIF4EALOX5APFEN1CYP1A2
SCHEMBL2448219 0.90 KMO (0.44) KMOEIF4EALOX5APFEN1CYP1A2
SCHEMBL28040987 0.80 CYP1A2 (0.50) KMOALOX5APFEN1CYP1A2CYP3A4
SCHEMBL2311283 0.77 MAPT (0.58) EIF4EALOX5APFEN1CYP3A4TSHR
SCHEMBL2312779 0.76 EIF4E (0.44) KMOEIF4EATRLMNAMAPT
SCHEMBL14988521 0.75 ALDH1A1 (0.43) KMOEIF4EALOX5APFEN1CYP1A2
SCHEMBL29655194 0.74 BACE1 (0.47) EIF4EALOX5APFEN1TSHRLMNA
SCHEMBL2312905 0.73 PTPN1 (0.43) KMOEIF4ECYP1A2CYP3A4TSHR
SCHEMBL2449013 0.73 MEN1 (0.45) KMOEIF4ECYP1A2CYP3A4ATR
SCHEMBL4970235 0.72 KMO (0.51) KMOALOX5APFEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349256-B1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
US-8232409-B2 Heterocyclic benzimidazoles as TRPM8 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-31 US disclosed
CN-102245181-A Heterocyclic benzimidazoles as TRPM8 modulators JANSSEN PHARMACEUTICA NV 2011-11-16 CN disclosed
WO-2010045166-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093788-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 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-20100093788-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS TRPM8, TRPV1, TRPM6 KMO 2083/4885EIF4E 2471/4885ALOX5AP 4223/4885

“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.