SCHEMBL10439263

SCHEMBL10439263

[C-]#[N+]c1cccc(C(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CREBBP Q92793 2/20 0.41
LMNA P02545 2/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
MAOB P27338 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL81598 0.82 CA12 (0.52) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL31267166 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1CYP1A2
SCHEMBL13389659 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1CYP1A2
SCHEMBL2268878 0.79 TSHR (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL13151966 0.79 ACHE (0.41) KMT2ATDP1NPSR1
SCHEMBL12714916 0.78 ATM (0.63) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL29953400 0.78 ATM (0.63) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL279656 0.78 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL13389463 0.77 PARP1 (0.33) TDP1
SCHEMBL12205536 0.76 GSK3B (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8404685-B2 Dihydropyrazole derivatives as tyrosine kinase modulators for the treatment of tumors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-26 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-8313814-B2 Cellulose acylate film, method of producing the same, cellulose derivative film, optically compensatory film using the same, optically-compensatory film incorporating polarizing plate, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2012-11-20 US disclosed
US-8221855-B2 Cellulose derivative film, optical compensation film, polarizing plate, and liquid crystal device FUJIFILM CORPORATION (JP) 2012-07-17 US disclosed
US-8043714-B2 Transparent thermoplastic film and a method of producing the same FUJIFILM CORPORATION (JP) 2011-10-25 US disclosed
US-7993562-B2 Method of producing a thermoplastic film FUJIFILM CORPORATION (JP) 2011-08-09 US disclosed
US-7981488-B2 Liquid crystal display device FUJIFILM CORPORATION (JP) 2011-07-19 US disclosed
US-20090021673-A1 Liquid Crystal Display Device FUJIFILM CORPORATION (JP) 2009-01-22 US disclosed
US-7452897-B2 Use of substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives for the treatment of neurodegenerative diseases SANOFI-AVENTIS (FR) 2008-11-18 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-7332233-B2 Iridium compound and organic electroluminescent device using the same SAMSUNG SDI CO., LTD. (KR) 2008-02-19 US disclosed
US-20070290168-A1 Resin film, production method thereof, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2007-12-20 US disclosed
US-20070286998-A1 Method of producing transparent thermoplastic film and transparent thermoplastic film FUJIFILM CORPORATION (JP) 2007-12-13 US disclosed
US-20070281112-A1 Thermoplastic film and method of producing the same, polarizing plate, optical compensation film, antireflection film and liquid-crystal display device FUJIFILM CORPORATION (JP) 2007-12-06 US disclosed
US-20070275183-A1 Transparent thermoplastic film and a method of producing the same FUJIFILM CORPORATION (JP) 2007-11-29 US disclosed
US-20070167455-A1 USE OF SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
US-7211581-B2 Substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives SANOFI-AVENTIS (FR) 2007-05-01 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 (5 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-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 ALDH1A1 4541/4885KMT2A 942/4885MEN1 2740/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 ALDH1A1 1065/4885KMT2A 2113/4885MEN1 519/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B ALDH1A1 1424/4885KMT2A 2362/4885MEN1 3170/4885
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP ALDH1A1 2490/4885KMT2A 1364/4885MEN1 2290/4885
US-20070167455-A1 USE OF SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN2, PSEN1, GSK3A ALDH1A1 322/4885KMT2A 1201/4885MEN1 4426/4885

“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.