SCHEMBL2978428

SCHEMBL2978428

O=C(O)c1c[nH]c2cc(F)c(F)cc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
HPGD P15428 4/20 0.57
CYP1A2 P05177 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALOX12 P18054 1/20 0.57
HSD17B10 Q99714 3/20 0.50
PRKAB2 O43741 2/20 0.50
PRKAG1 P54619 2/20 0.50
PRKAA2 P54646 2/20 0.50
PRKAA1 Q13131 2/20 0.50
PRKAG3 Q9UGI9 2/20 0.50
PRKAG2 Q9UGJ0 2/20 0.50
PRKAB1 Q9Y478 2/20 0.50
HTT P42858 1/20 0.48
MDH2 P40926 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR84 Q9NQS5 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL17429453 0.89 PRKAB2 (0.59) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL30416918 0.89 PRKAB2 (0.59) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL10478126 0.87 KDM4E (0.60) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL28441880 0.87 KDM4E (0.60) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL17242475 0.87 KDM4E (0.60) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL15281993 0.85 KDM4E (0.49) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL10824140 0.85 HPGD (0.60) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL2971723 0.84 KDM4E (0.56) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL2969124 0.84 KDM4E (0.56) KDM4EHPGDCYP1A2ALDH1A1MEN1
SCHEMBL1421967 0.82 KDM4E (0.55) KDM4EHPGDCYP1A2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130273581-A1 HAPTENS AND IMMUNOREACTIVE AGENTS AND USE THEREOF FOR PRODUCING FAMILY ANTIBODIES AND IMMUNOASSAYS FOR QUINOLONES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2013-10-17 US claimed
EP-2644596-A1 HAPTENS AND IMMUNOREACTIVE AGENTS AND USE THEREOF FOR PRODUCING FAMILY ANTIBODIES AND IMMUNOASSAYS FOR QUINOLONES Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2013-10-02 EP claimed
US-10150736-B2 Haptens and immunoreactive agents and use thereof for producing family antibodies and immunoassays for quinolones CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2018-12-11 US disclosed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8614327-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 US disclosed
US-20130273581-A1 HAPTENS AND IMMUNOREACTIVE AGENTS AND USE THEREOF FOR PRODUCING FAMILY ANTIBODIES AND IMMUNOASSAYS FOR QUINOLONES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2013-10-17 US disclosed
EP-2644596-A1 HAPTENS AND IMMUNOREACTIVE AGENTS AND USE THEREOF FOR PRODUCING FAMILY ANTIBODIES AND IMMUNOASSAYS FOR QUINOLONES Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2013-10-02 EP disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-8354427-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-01-15 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
EP-0321191-B1 Heterocyclic-substituted quinoline-carboxylic acids PFIZER (US) 1994-11-02 EP disclosed
EP-0500835-A1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE. DAE WOONG PHARMA (KR) 1992-09-02 EP disclosed
WO-1992004342-A1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1992-03-19 WO disclosed
EP-0198678-B1 A PROCESS FOR PREPARING SUBSTITUTED QUINOLINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 1991-08-21 EP disclosed
EP-0200307-B1 IMPROVED PROCESS FOR PRODUCTION OF QUINOLINE-3-CARBOXYLIC ACID ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-12-20 EP disclosed
EP-0321191-A2 Heterocyclic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1989-06-21 EP disclosed
EP-0200307-A1 Improved process for production of quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-11-05 EP disclosed
EP-0198678-A2 A process for preparing substituted quinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1986-10-22 EP disclosed
US-4578473-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-03-25 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-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KDM4E 4262/4885HPGD 1121/4885CYP1A2 2537/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885HPGD 1121/4885CYP1A2 2537/4885
US-20130273581-A1 HAPTENS AND IMMUNOREACTIVE AGENTS AND USE THEREOF FOR PRODUCING FAMILY ANTIBODIES AND IMMUNOASSAYS FOR QUINOLONES NQO2, NISCH, VIP KDM4E 4335/4885HPGD 434/4885CYP1A2 1400/4885
US-10150736-B2 Haptens and immunoreactive agents and use thereof for producing family antibodies and immunoassays for quinolones NQO2, NISCH, VIP KDM4E 4335/4885HPGD 434/4885CYP1A2 1400/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885HPGD 1121/4885CYP1A2 2537/4885

“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.