SCHEMBL2444558

SCHEMBL2444558

CC(C)(C)c1cc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cc(C(F)(F)F)c2[N+](=O)[O-])on1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EIF4E P06730 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
CRHR1 P34998 1/20 0.34
CSGALNACT1 Q8TDX6 1/20 0.34
TP53 P04637 2/20 0.34
RORC P51449 1/20 0.34
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL2444858 0.92 RORC (0.38) RAF1BRAFHTTNPC1RAB9A
SCHEMBL2445967 0.88 EIF4E (0.39) RAF1BRAFHTTNPC1RAB9A
SCHEMBL2442786 0.84 MAPT (0.38) RAF1BRAFHTTNPC1RAB9A
SCHEMBL2445260 0.81 NPC1 (0.39) RAF1BRAFHTTNPC1RAB9A
SCHEMBL2446359 0.76 HTT (0.46) RAF1BRAFHTTNPC1RAB9A
SCHEMBL2448093 0.76 HTT (0.41) RAF1BRAFHTTNPC1RAB9A
SCHEMBL14472099 0.71 EIF4E (0.43) NPC1RAB9ATSHRKMT2AEIF4E
SCHEMBL2450125 0.70 NPSR1 (0.46) KMT2AEIF4ELMNAPOLBCRHR1
SCHEMBL2449013 0.69 MEN1 (0.45) KMT2AEIF4ECRHR1ATRCYP1A2
SCHEMBL15589728 0.69 EPHX2 (0.39) BRAFHTTSMN1; SMN2EIF4ELMNA

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 RAF1 2988/4885BRAF 2287/4885HTT 3890/4885

“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.