SCHEMBL9225537

SCHEMBL9225537

CNC1CCCC(C(F)(F)F)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.37
YTHDC1 Q96MU7 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 1/20 0.30

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
SCHEMBL29189340 0.86
SCHEMBL18876634 0.80 EPHX1 (0.37) ADH1BADH1CADH1AADH7
SCHEMBL25360530 0.80 ADH1B (0.31) ADH1BADH1CADH1AADH7
SCHEMBL20321470 0.80 EPHX1 (0.37) ADH1BADH1CADH1AADH7
SCHEMBL21166211 0.79 MITF (0.35) MITF
SCHEMBL21166148 0.79 MITF (0.35) MITF
SCHEMBL25477329 0.79
SCHEMBL29189214 0.79
SCHEMBL21166234 0.78 MITF (0.35) MITF
SCHEMBL8406854 0.78 ADH1B (0.56) MITFADH1BADH1CADH1AADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207476-A Indoles and 7-azaindole derivatives and its for the purposes in neurodegenerative disorders 默克专利有限公司 2017-09-26 CN disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-4491671-A Process for the preparation of N-substituted imido-dicarboxylic acid diaryl esters BAYER AKTIENGESELLSCHAFT (DE) 1985-01-01 US disclosed
EP-0048376-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED DIARYL IMIDODICARBOXYLATES BAYER AG (DE) 1984-02-15 EP disclosed
EP-0048377-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED DIARYL IMIDODICARBOXYLATES BAYER AG (DE) 1983-10-19 EP disclosed
US-4348331-A FROM THE HYDROCHLORIDE OF A PRIMARY AMINE AND AN ARYL ESTER HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
EP-0048376-A1 Process for the preparation of N-substituted diaryl imidodicarboxylates BAYER AG (DE) 1982-03-31 EP 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 MITF 4728/4885YTHDC1 4790/4885ADH1B 1749/4885

“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.