SCHEMBL9284158

SCHEMBL9284158

CNc1cc(Cl)ccc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 2/20 0.45
▸ CNR2 P34972 1/20 0.42
▸ ALPL P05186 4/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ S100A9 P06702 1/20 0.36
▸ ANO1 Q5XXA6 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ ACLY P53396 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36

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
SCHEMBL20856635 0.82 CNR2 (0.39) TNNI3KCNR2ALPLMEN1KMT2A
Hydrochloric Acid SCHEMBL20916727 0.81 CNR2 (0.39) TNNI3KCNR2ALPLMEN1KMT2A
SCHEMBL28714968 0.79 KDR (0.43) TNNI3KALPLALDH1A1IGF1R
Hydrochloric Acid SCHEMBL28852883 0.79 EPHX2 (0.38) TNNI3KGAA
SCHEMBL23486446 0.78 MAPT (0.40) TNNI3KCNR2ALPLMEN1KMT2A
SCHEMBL9227908 0.77 KMT2A (0.59) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL16373984 0.76 ANO1 (0.46) CNR2MEN1KMT2ALMNAALDH1A1
SCHEMBL9240089 0.75 NR1I2 (0.47) CNR2LMNAS100A9
SCHEMBL23466432 0.74 GPR35 (0.48) CNR2ALPLMEN1KMT2ALMNA
SCHEMBL25952455 0.74 LMNA (0.48) CNR2ALPLMEN1KMT2ALMNA

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
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 — — US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 — — 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A TNNI3K 2117/4885CNR2 390/4885ALPL 3455/4885

“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.

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