SCHEMBL4506073

SCHEMBL4506073

CCc1c(F)c(F)cc(C(=O)O)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ GABRP O00591 2/20 0.36
▸ GABRD O14764 2/20 0.36
▸ GABRA1 P14867 2/20 0.36
▸ GABRB1 P18505 2/20 0.36
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ GABRA3 P34903 2/20 0.36
▸ GABRA2 P47869 2/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ GABRA4 P48169 2/20 0.36
▸ GABRE P78334 2/20 0.36
▸ GABRA6 Q16445 2/20 0.36
▸ GABRG1 Q8N1C3 2/20 0.36
▸ GABRG3 Q99928 2/20 0.36
▸ GABRQ Q9UN88 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8578094 0.85 GABRP (0.40) KEAP1NFE2L2GABRPGABRDGABRA1
SCHEMBL5461009 0.84 KEAP1 (0.43) KEAP1NFE2L2GABRPGABRDGABRA1
SCHEMBL4512580 0.83 DGAT1 (0.38) TSHRCES2CES1LMNA
SCHEMBL13341770 0.79 TSHR (0.46) TSHRHSD17B10KDM4EGAAL3MBTL1
SCHEMBL9246039 0.78 KEAP1 (0.37) KEAP1NFE2L2HSD17B10CES2CES1
SCHEMBL27856987 0.77 DGAT1 (0.39) TSHRCES2CES1LMNA
SCHEMBL2655336 0.77 CES2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1541651 0.77 CES2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8593509 0.77 TSHR (0.44) KEAP1NFE2L2TSHRHSD17B10RARB
SCHEMBL3110738 0.76 FBP1 (0.41) TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 — — US disclosed
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 — — EP disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 — — EP disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 — — US disclosed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 — — US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 — — US disclosed
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 — — EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 — — EP disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 — — EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 — — WO disclosed
EP-0757028-B1 Process for the preparation of aromatic carbonic acid esters CLARIANT GMBH (DE) 1999-12-29 — — EP disclosed
US-5874608-A Process for the preparation of esters of aromatic carboxylic acid HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-23 — — US disclosed
US-5849757-A Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 — — US disclosed
US-5744628-A Process for the preparation of esters of aromatic carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-28 — — US disclosed
EP-0811601-A1 Process for the preparation of aromatic carbonic acid esters Clariant GmbH (DE) 1997-12-10 — — EP disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 — — EP disclosed
EP-0757028-A1 Process for the preparation of aromatic carbonic acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-05 — — 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 (2 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-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 KEAP1 533/4885NFE2L2 467/4885GABRP 3200/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KEAP1 478/4885NFE2L2 455/4885GABRP 3410/4885

“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.

Send feedback