SCHEMBL465753

SCHEMBL465753

O=C(Cl)c1ccccc1C(F)F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
ALOX15 P16050 2/20 0.54
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
PRMT5 O14744 1/20 0.39
MAPT P10636 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 2/20 0.34
HCRTR1 O43613 1/20 0.34
POLB P06746 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL11388609 0.83 ALDH1A1 (0.50) ALDH1A1ALOX15CES2CES1MAPT
SCHEMBL27514049 0.82 ALDH1A1 (0.48) ALDH1A1ALOX15CES2CES1PRMT5
SCHEMBL30281127 0.80 ALDH1A1 (0.56) ALDH1A1ALOX15MAPTHDAC8GAA
SCHEMBL465752 0.80 ALDH1A1 (0.56) ALDH1A1ALOX15MAPTHDAC8GAA
SCHEMBL4667818 0.80 ALDH1A1 (0.50) ALDH1A1ALOX15CES2CES1MAPT
SCHEMBL2153533 0.80 ALDH1A1 (0.50) ALDH1A1ALOX15KMT2ATDP1HPGD
SCHEMBL25209513 0.79 CTSD (0.50) ALDH1A1PRMT5MAPTGAAKMT2A
SCHEMBL4891168 0.79 ALDH1A1 (0.46) ALDH1A1ALOX15CES2CES1MAPT
SCHEMBL4318041 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15CES2CES1MAPT
SCHEMBL14523913 0.78 LMNA (0.43) ALDH1A1ALOX15CES2CES1PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
EP-3148975-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-04-05 EP disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 EP disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 EP disclosed
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 US disclosed
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
EP-2344475-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-07-20 EP disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 WO disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 WO disclosed
US-20070082877-A1 Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof BAYER CORPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-20070082877-A1 Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof BAYER CORPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-20070082877-A1 Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof BAYER CORPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
CN-1791569-A Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof BAYER CROPSCIENCE AG (DE) 2006-06-21 CN disclosed
EP-1628948-A1 DIFLUOROMETHYLBENZANILIDES AND USE THEREOF FOR COMBATING MICRO-ORGANISMS, INTERMEDIATE PRODUCTS AND USE THEREOF Bayer CropScience AG (DE) 2006-03-01 EP disclosed
WO-2004103953-A1 DIFLUOROMETHYLBENZANILIDES AND USE THEREOF FOR COMBATING MICRO-ORGANISMS, INTERMEDIATE PRODUCTS AND USE THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-02 WO 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-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALDH1A1 1976/4885ALOX15 1277/4885CES2 4052/4885
US-20070082877-A1 Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof FBL, Q6ZSR9, DDT ALDH1A1 380/4885ALOX15 3082/4885CES2 1715/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1480/4885ALOX15 1393/4885CES2 3199/4885

“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.