SCHEMBL52408

SCHEMBL52408

Cc1ncc(C(=O)O)c(C)c1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
KMT2A Q03164 2/20 0.61
HPGD P15428 1/20 0.46
GABRP O00591 3/20 0.44
GABRD O14764 3/20 0.44
GABRA1 P14867 3/20 0.44
GABRB1 P18505 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRA2 P47869 3/20 0.44
GABRB2 P47870 3/20 0.44
GABRA4 P48169 3/20 0.44
GABRE P78334 3/20 0.44
GABRA6 Q16445 3/20 0.44
GABRG1 Q8N1C3 3/20 0.44
GABRG3 Q99928 3/20 0.44
GABRQ Q9UN88 3/20 0.44
LDHA P00338 1/20 0.40

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
Hydrochloric Acid SCHEMBL52139 0.98 KDM4E (0.59) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL11562679 0.78 KDM4E (0.65) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL29150280 0.78 KDM4E (0.46) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL12465251 0.78 KDM4E (0.50) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL18299713 0.78 KDM4E (0.50) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL8803397 0.77 KDM4E (0.69) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL10444824 0.76 KDM4E (1.00) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL11724124 0.76 KDM4E (0.53) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL11427563 0.76 KDM4E (0.44) KDM4EKMT2AHPGDGABRPGABRD
SCHEMBL27679169 0.75 SMN1; SMN2 (0.43) KDM4EKMT2AHPGDALDH1A1TDP1

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
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 US disclosed
CN-105814022-B Condensed bicyclic heteroaromatic derivative as TNF active regulators UCB生物制药私人有限公司 2018-09-28 CN disclosed
US-9269987-B2 Anions and derived salts with high dissociation in non-protogenic solvents JÓNSSON ERLENDUR (SE) 2016-02-23 US disclosed
US-9045436-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-20140272601-A1 Anions and Derived Salts with High Dissociation in Non-Protogenic Solvents JÓNSSON ERLENDUR (SE) 2014-09-18 US disclosed
US-20140242606-A1 PROBE FOR iFRET AND USE THEREOF KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2014-08-28 US disclosed
US-8466282-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-18 US disclosed
WO-2013072470-A1 ANIONS AND DERIVED SALTS WITH HIGH DISSOCIATION IN NON-PROTOGENIC SOLVENTS JONSSON ERLENDUR (SE) 2013-05-23 WO disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
US-7338965-B2 3,4-disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines PHARMACIA & UPJOHN COMPANY (US) 2008-03-04 US disclosed
US-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines ELAN PHARMACEUTICALS, INC. 2004-02-19 US disclosed
EP-1112271-A1 ERGOLINE AMINE DERIVATIVES WITH BLOOD PRESSURE LOWERING EFFECT Cybio Screening GmbH (DE) 2001-07-04 EP disclosed
WO-2000004018-A1 ERGOLINE AMINE DERIVATIVES WITH BLOOD PRESSURE LOWERING EFFECT CYBIO SCREENING GMBH (DE) 2000-01-27 WO disclosed
EP-0194751-A1 Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-17 EP disclosed
EP-0179239-A2 7-(Pyridinyl)-/-alkyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid having antibacterial activity and preparation thereof STERLING DRUG INC. (US) 1986-04-30 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 (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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 KDM4E 2540/4885KMT2A 1580/4885HPGD 2021/4885
US-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R KDM4E 2755/4885KMT2A 3375/4885HPGD 553/4885
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL KDM4E 2380/4885KMT2A 2764/4885HPGD 986/4885
US-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines BACE1, APP, BACE2 KDM4E 2096/4885KMT2A 2946/4885HPGD 3560/4885
US-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG KDM4E 1609/4885KMT2A 1339/4885HPGD 1406/4885

“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.