SCHEMBL2312905

SCHEMBL2312905

Nc1ccc(-c2ccccc2C(F)(F)F)nc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.43
KMO O15229 2/20 0.43
EIF4E P06730 1/20 0.40
ATR Q13535 2/20 0.39
CNR2 P34972 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TLR8 Q9NR97 1/20 0.38
BACE1 P56817 1/20 0.37
MPL P40238 1/20 0.36
PDE7A Q13946 1/20 0.36
ACP1 P24666 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 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
SCHEMBL2312779 0.81 EIF4E (0.44) PTPN1KMOEIF4EATRCA1
SCHEMBL2308388 0.77 PTPN1 (0.50) PTPN1KMOATRCNR2TLR8
SCHEMBL21630212 0.76 MEN1 (0.46) KMOEIF4EPDE7AACP1CYP1A2
SCHEMBL2449013 0.75 MEN1 (0.45) PTPN1KMOEIF4EATRCA1
SCHEMBL14988521 0.74 ALDH1A1 (0.43) KMOEIF4ECYP1A2CYP3A4MAPK1
SCHEMBL14472048 0.74 EIF4E (0.46) PTPN1KMOEIF4EATRCYP1A2
SCHEMBL2445461 0.74 CTSK (0.44) KMOEIF4EATRCA1CA2
SCHEMBL2308639 0.73 KMO (0.44) KMOEIF4EATRCYP1A2CYP3A4
SCHEMBL2448219 0.73 KMO (0.44) KMOEIF4EATRCYP1A2CYP3A4
SCHEMBL3242203 0.73 KMO (0.44) KMOEIF4EATRCYP1A2CYP3A4

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 6 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
EP-2349256-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS Janssen Pharmaceutica NV (BE) 2011-08-03 EP 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 PTPN1 4413/4885KMO 2083/4885EIF4E 2471/4885

“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.