SCHEMBL2445260

SCHEMBL2445260

CC(C)(C)c1cc(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cc(Cl)c2N)on1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 3/20 0.39
TSHR P16473 1/20 0.39
ATR Q13535 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK14 Q16539 3/20 0.37
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 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
SCHEMBL2444858 0.86 RORC (0.38) NPC1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL2446359 0.85 HTT (0.46) NPC1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL2448093 0.84 HTT (0.41) NPC1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL2444558 0.81 RAF1 (0.37) NPC1KMT2ASMN1; SMN2CYP1A2HTT
SCHEMBL2445967 0.79 EIF4E (0.39) NPC1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL2444826 0.77 ATR (0.37) NPC1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL2442786 0.72 MAPT (0.38) NPC1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL14471498 0.69 ATR (0.46) CYP1A2TSHRATRMAPK14
SCHEMBL14471499 0.68 ACP1 (0.44) CYP1A2ATRCYP3A4
SCHEMBL18407362 0.67 LMNA (0.55) NPC1KMT2ASMN1; SMN2CYP1A2CYP2C19

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 NPC1 3045/4885KMT2A 630/4885SMN1; 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.