SCHEMBL2444858

SCHEMBL2444858

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.38
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
MAPK14 Q16539 4/20 0.37
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
CYP3A4 P08684 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
EIF4E P06730 1/20 0.34
CRHR1 P34998 1/20 0.33
CSGALNACT1 Q8TDX6 1/20 0.33

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 0.92 RAF1 (0.37) RORCNPC1SMN1; SMN2KMT2ACYP1A2
SCHEMBL2445260 0.86 NPC1 (0.39) NPC1SMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL2445967 0.85 EIF4E (0.39) NPC1SMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL2442786 0.82 MAPT (0.38) RORCNPC1SMN1; SMN2KMT2ACYP1A2
SCHEMBL2450125 0.78 NPSR1 (0.46) RORCKMT2AMEN1MAPTEIF4E
SCHEMBL2448093 0.77 HTT (0.41) NPC1SMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL2446359 0.77 HTT (0.46) NPC1SMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL14472062 0.71 SCN9A (0.42) RORCCYP1A2TSHREIF4E
SCHEMBL2445316 0.70 MEN1 (0.42) RORCKMT2AMEN1EIF4ECRHR1
SCHEMBL15589728 0.67 EPHX2 (0.39) SMN1; SMN2HTTHPGDBRAFCYP3A4

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 RORC 827/4885NPC1 3045/4885SMN1; SMN2 2260/4885

“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.