SCHEMBL1883344

SCHEMBL1883344

Cc1cc(N(C)C)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 7/20 0.46
TSHR P16473 4/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 1/20 0.46
APAF1 O14727 1/20 0.43
TERT O14746 1/20 0.41
APP P05067 1/20 0.41
CRHR1 P34998 3/20 0.39
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
S1PR1 P21453 1/20 0.37
KDM4E B2RXH2 2/20 0.36
S100B P04271 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 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
SCHEMBL9939716 0.81 ALDH1A1 (0.46) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL11037394 0.80 ALDH1A1 (0.50) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL19009077 0.79 S1PR1 (0.46) MAPTALDH1A1CYP3A4S1PR1S100B
SCHEMBL346399 0.77 ALDH1A1 (0.53) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL29442599 0.76 S100B (0.61) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL33872 0.76 S100B (0.61) MAPTALDH1A1TSHRALOX15HSD17B10
SCHEMBL19075248 0.76 ALDH1A1 (0.39) MAPTALDH1A1TSHRCYP3A4TDP1
SCHEMBL21233548 0.76 ALDH1A1 (0.39) MAPTALDH1A1TSHRCYP3A4TDP1
SCHEMBL28523030 0.76 S1PR1 (0.37) ALDH1A1CYP3A4S1PR1S100BMEN1
SCHEMBL12156934 0.76 S100B (0.37) MAPTALDH1A1HSD17B10CYP3A4S1PR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 WO disclosed
US-9758688-B2 Composition for forming conductive film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-12 US disclosed
EP-2759543-B1 CHROMENE COMPOUND AND CURABLE COMPOSITION TOKUYAMA CORP (JP) 2017-07-19 EP disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 US disclosed
US-9340529-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2016-05-17 US disclosed
US-20150275015-A1 COMPOSITION FOR FORMING CONDUCTIVE FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-01 US disclosed
EP-2699575-B1 TRIAZOLOPYRIDINES BAYER IP GMBH (DE) 2015-03-25 EP disclosed
US-8916071-B2 Chromene compound and curable composition TOKUYAMA CORPORATION (JP) 2014-12-23 US disclosed
US-20140225050-A1 CHROMENE COMPOUND AND CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2014-08-14 US disclosed
US-8802864-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-12-13 US disclosed
WO-2012143329-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
US-20110229910-A1 Fluorescent Substrates for Neurotransmitter Transporters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-22 US disclosed
WO-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 WO disclosed
US-7947255-B2 Exposing cell or extract to 4-(4-(dimethylamino)phenyl)-1-methylpyridinium iodide; high speed screening; kits VANDERBILT UNIVERSITY (US) 2011-05-24 US disclosed
EP-1702962-B1 Ink composition containing a photo-acid and a photo-base generator and processes using them FUJIFILM CORP (JP) 2008-12-24 EP disclosed
US-20080108102-A1 FLUORESCENT SUBSTRATES FOR NEUROTRANSMITTER TRANSPORTERS VANDERBILT UNIVERSITY 2008-05-08 US disclosed
WO-2008021870-A1 FLUORESCENT SUBSTRATES FOR NEUROTRANSMITTER TRANSPORTERS VANDERBILT UNIVERSITY (US) 2008-02-21 WO disclosed
US-5356893-A Antidepressants, nervous system disorders GLAXO GROUP LIMITED (GB) 1994-10-18 US disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 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 (3 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-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 MAPT 3708/4885ALDH1A1 819/4885TSHR 3072/4885
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 MAPT 4609/4885ALDH1A1 410/4885TSHR 2319/4885
US-20140225050-A1 CHROMENE COMPOUND AND CURABLE COMPOSITION CRY2, CRY1, CDYL MAPT 2242/4885ALDH1A1 2550/4885TSHR 1651/4885

“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.