SCHEMBL2446359

SCHEMBL2446359

CC(C)(C)c1cc(C(=O)Nc2cc(-c3ccccc3C(F)(F)F)nc(Cl)c2N)on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 2/20 0.39
ATR Q13535 1/20 0.38
HDAC1 Q13547 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL2448093 0.87 HTT (0.41) HTTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2445260 0.85 NPC1 (0.39) HTTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2442786 0.78 MAPT (0.38) HTTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2444858 0.77 RORC (0.38) HTTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2444558 0.76 RAF1 (0.37) HTTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2445967 0.74 EIF4E (0.39) HTTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL14471492 0.70 PARP1 (0.47) TSHRATRCYP1A2
SCHEMBL2448730 0.68 ACP1 (0.44) ATRCYP1A2CYP3A4
SCHEMBL18407362 0.67 LMNA (0.55) HTTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2448248 0.66 ACP1 (0.36) HTTNPC1RAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTT 3890/4885NPC1 3045/4885RAB9A 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.