SCHEMBL2367265

SCHEMBL2367265

Cc1ccc(N(C)C)cc1N

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.56
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 4/20 0.52
CASP1 P29466 1/20 0.52
CYP3A4 P08684 5/20 0.48
ALOX15 P16050 2/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 5/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.43
TERT O14746 1/20 0.41
APP P05067 1/20 0.41
S100B P04271 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL29442599 0.81 S100B (0.61) APAF1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL33872 0.81 S100B (0.61) APAF1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL31361979 0.80 ALDH1A1 (0.52) APAF1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL2313495 0.80 ALDH1A1 (0.52) APAF1ALDH1A1TDP1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL9293613 0.79 S100B (0.59) APAF1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL15928738 0.79 S100B (0.48) APAF1ALDH1A1TDP1CASP1CYP3A4
SCHEMBL6739605 0.77 ALDH1A1 (0.70) APAF1ALDH1A1TDP1CASP1CYP3A4
SCHEMBL346399 0.77 ALDH1A1 (0.53) APAF1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL8371365 0.76 ALDH1A1 (0.46) APAF1ALDH1A1TDP1CASP1CYP3A4
SCHEMBL538824 0.76 S100B (0.71) ALDH1A1TDP1CASP1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 US disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 US disclosed
US-9220671-B2 Dye composition comprising at least four dye precursors including at least one oxidation base and at least one coupler L'OREAL (FR) 2015-12-29 US disclosed
WO-2014118092-A2 DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-PHENYLENEDIAMINE COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'OREAL (FR) 2014-08-07 WO disclosed
EP-2366004-A1 LUBRICATING COMPOSITION CONTAINING A POLYMER FUNCTIONALISED WITH A CARBOXYLIC ACID AND AN AROMATIC POLYAMINE The Lubrizol Corporation (US) 2011-09-21 EP disclosed
US-7670753-B2 Lithographic printing plate precursor EASTMAN KODAK COMPANY (US) 2010-03-02 US disclosed
US-20080261146-A1 Lithographic Printing Plate Precursor EASTMAN KODAK COMPANY 2008-10-23 US disclosed
EP-1782127-B1 LITHOGRAPHIC PRINTING PLATE PRECURSOR EASTMAN KODAK CO (US) 2008-04-02 EP disclosed
EP-1782127-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR EASTMAN KODAK COMPANY (US) 2007-05-09 EP disclosed
WO-2006023667-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR EASTMAN KODAK COMPANY (US) 2006-03-02 WO disclosed
CN-1318776-A Development composition and thermosensitive recording material MITSUI CHEMICALS INC (JP) 2001-10-24 CN disclosed
EP-0217247-B1 PROCESS FOR THE PREPARATION OF POLYAMINES, POLYAMINES AND THEIR USE IN THE PREPARATION OF POLYURETHANES BAYER AG (DE) 1991-03-13 EP disclosed
US-4931595-A Catalytic hydrolysis process for polyamines BAYER AKTIENGESELLSCHAFT (DE) 1990-06-05 US disclosed
EP-0217247-A2 Process for the preparation of polyamines, polyamines and their use in the preparation of polyurethanes BAYER AG (DE) 1987-04-08 EP disclosed
US-4289880-A BLUE COLOR ON POLYACRYLONITRILE CIBA-GEIGY CORPORATION (US) 1981-09-15 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-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF OPRM1, OPRK1, OPRL1 APAF1 4634/4885ALDH1A1 1408/4885TDP1 4694/4885

“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.