SCHEMBL2309293

SCHEMBL2309293

Nc1c(Br)cc(-c2ccccc2C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.48
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 2/20 0.45
BACE1 P56817 1/20 0.39
EIF4E P06730 1/20 0.39
KIF11 P52732 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
AR P10275 1/20 0.37
CRHR1 P34998 1/20 0.36
MASP2 O00187 1/20 0.36
F2 P00734 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HSD11B1 P28845 1/20 0.35
CRHBP P24387 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
SCHEMBL2313153 0.89 ALDH1A1 (0.44) CTSBALDH1A1CYP3A4BACE1EIF4E
SCHEMBL2308196 0.85 ALDH1A1 (0.41) CTSBALDH1A1CYP3A4BACE1EIF4E
SCHEMBL2310213 0.85 ALDH1A1 (0.41) CTSBALDH1A1CYP3A4BACE1EIF4E
SCHEMBL11900179 0.85 TRPA1 (0.44) CTSBALDH1A1CYP3A4BACE1EIF4E
SCHEMBL11957038 0.82 ALDH1A1 (0.39) CTSBALDH1A1CYP3A4BACE1EIF4E
SCHEMBL3233946 0.82 AR (0.51) CTSBALDH1A1BACE1EIF4EKIF11
SCHEMBL27542162 0.81 EIF4E (0.42) ALDH1A1CYP3A4BACE1EIF4EKIF11
SCHEMBL2311283 0.81 MAPT (0.58) ALDH1A1CYP3A4BACE1EIF4EKIF11
SCHEMBL27463044 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4BACE1EIF4EKIF11
SCHEMBL11899871 0.78 ALDH1A1 (0.42) CTSBALDH1A1CYP3A4EIF4EKIF11

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 11 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
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
US-8232409-B2 Heterocyclic benzimidazoles as TRPM8 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-31 US disclosed
US-8232409-B2 Heterocyclic benzimidazoles as TRPM8 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-31 US 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
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
US-20100093788-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US 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 CTSB 3111/4885ALDH1A1 2197/4885CYP3A4 1753/4885

“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.