SCHEMBL2445967

SCHEMBL2445967

CC(C)(C)c1cc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ccc2[N+](=O)[O-])on1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.39
AR P10275 4/20 0.37
CYP3A4 P08684 2/20 0.37
PGR P06401 1/20 0.37
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
CES2 O00748 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 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
SCHEMBL2444558 0.88 RAF1 (0.37) EIF4EMYCMAXTSHRSMN1; SMN2
SCHEMBL2444858 0.85 RORC (0.38) EIF4ECYP3A4TSHRSMN1; SMN2NPC1
SCHEMBL15589728 0.81 EPHX2 (0.39) EIF4EARCYP3A4PGRSMN1; SMN2
SCHEMBL2445260 0.79 NPC1 (0.39) CYP3A4TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL2446545 0.79 RAF1 (0.37) SMN1; SMN2NPC1RAB9AKMT2ARAF1
SCHEMBL2442786 0.79 MAPT (0.38) CYP3A4MYCMAXTSHRSMN1; SMN2
SCHEMBL2448093 0.74 HTT (0.41) CYP3A4TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL2446359 0.74 HTT (0.46) CYP3A4TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL19580145 0.70 EPHX2 (0.39) EIF4EARCYP3A4PGRRAB9A
SCHEMBL14472048 0.68 EIF4E (0.46) EIF4ECYP3A4ALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011109587-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-09 WO disclosed
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-08 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 (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-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 EIF4E 2274/4885AR 2107/4885CYP3A4 3186/4885

“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.