SCHEMBL2837468

SCHEMBL2837468

CN(C)C=CC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.67
CYP2C19 P33261 2/20 0.67
MAPT P10636 8/20 0.62
HPGD P15428 3/20 0.62
ALOX12 P18054 1/20 0.62
ALDH1A1 P00352 8/20 0.59
HTT P42858 3/20 0.59
GAA P10253 2/20 0.59
LMNA P02545 4/20 0.58
RAB9A P51151 5/20 0.57
RECQL P46063 2/20 0.57
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL15777509 1.00 CYP1A2 (0.67) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL5946413 0.85 RAB9A (0.61) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL30714430 0.85 MAPT (0.62) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL23610389 0.85 MAPT (0.62) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL6990314 0.83 CES2 (0.64) CYP1A2MAPTHPGDALDH1A1HTT
SCHEMBL6990311 0.83 CES2 (0.64) CYP1A2MAPTHPGDALDH1A1HTT
SCHEMBL3606864 0.83 MAPT (0.76) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL12275069 0.83 ALDH1A1 (0.59) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL12275071 0.83 ALDH1A1 (0.59) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL3606868 0.83 MAPT (0.76) CYP1A2CYP2C19MAPTHPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 EP disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 EP disclosed
US-10173996-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
EP-2443132-B1 PLATINUM (II) ISOQUINOLINE-PYRIDINE-BENZENE BASED COMPLEXES, PREPARING METHOD THEREOF, AND ORGANIC LIGHT-EMITTING DIODES MADE THEREFROM VERSITECH LTD (CN) 2018-10-10 EP disclosed
US-9908865-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-20170275266-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-28 US disclosed
US-9714230-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2017-07-25 US disclosed
US-20170158664-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-08 US disclosed
US-9604961-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-03-28 US disclosed
US-20160347733-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2016-12-01 US disclosed
US-9458129-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2016-10-04 US disclosed
US-20160068507-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-03-10 US disclosed
US-20160002201-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-01-07 US disclosed
EP-2928471-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2015-10-14 EP disclosed
US-9107916-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-08-18 US disclosed
US-20150164872-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-06-18 US disclosed
US-8987461-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-03-24 US disclosed
US-20140194469-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-07-10 US disclosed
WO-2014089364-A1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS, INC (US) 2014-06-12 WO disclosed
US-20100314994-A1 Platinum (II) Isoqulinoline-Pyridine-Benzene Based Complexes, Methods for Making Same, and Organic Light-Emitting Diodes Including Such Complexes VERSITECH LIMITED (CN) 2010-12-16 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 (9 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-10173996-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM1A CYP1A2 1218/4885CYP2C19 1607/4885MAPT 2204/4885
US-20160002201-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A CYP1A2 1218/4885CYP2C19 1607/4885MAPT 2204/4885
US-20170275266-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A CYP1A2 1218/4885CYP2C19 1607/4885MAPT 2204/4885
US-20160347733-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A CYP1A2 1218/4885CYP2C19 1607/4885MAPT 2204/4885
US-20100314994-A1 Platinum (II) Isoqulinoline-Pyridine-Benzene Based Complexes, Methods for Making Same, and Organic Light-Emitting Diodes Including Such Complexes OCIAD2, PDCD1LG2, PDCD2L CYP1A2 893/4885CYP2C19 1534/4885MAPT 596/4885
US-20160068507-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A CYP1A2 1218/4885CYP2C19 1607/4885MAPT 2204/4885
US-20170158664-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A CYP1A2 1218/4885CYP2C19 1607/4885MAPT 2204/4885
US-20150164872-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A CYP1A2 1218/4885CYP2C19 1607/4885MAPT 2204/4885
US-20140194469-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A CYP1A2 1218/4885CYP2C19 1607/4885MAPT 2204/4885

“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.