SCHEMBL7845387

SCHEMBL7845387

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 7/20 0.43
LMNA P02545 5/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 4/20 0.43
BRD4 O60885 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
CYP2J2 P51589 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.41
TOP2A P11388 2/20 0.41
TOP2B Q02880 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 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
SCHEMBL27976888 0.89 ALDH1A1 (0.41) ALDH1A1DRD3KDM4ELMNAHPGD
SCHEMBL3812812 0.89 ALDH1A1 (0.43) ALDH1A1DRD3KDM4ELMNAHPGD
SCHEMBL7489676 0.89 ALDH1A1 (0.47) ALDH1A1DRD3KDM4ELMNAHPGD
SCHEMBL7846325 0.87 ALDH1A1 (0.44) ALDH1A1DRD3KDM4ELMNAHPGD
SCHEMBL7491803 0.87 ALDH1A1 (0.44) ALDH1A1DRD3KDM4ELMNAHPGD
SCHEMBL7608724 0.87 ALDH1A1 (0.46) ALDH1A1DRD3KDM4ELMNAHPGD
SCHEMBL15999549 0.84 KDM4E (0.39) ALDH1A1DRD3KDM4ELMNAHPGD
SCHEMBL10698481 0.83 KDM4E (0.46) ALDH1A1DRD3KDM4ELMNAHPGD
SCHEMBL9686875 0.82 ALDH1A1 (0.73) ALDH1A1DRD3KDM4ELMNAHPGD
SCHEMBL9685571 0.82 ALDH1A1 (0.61) ALDH1A1DRD3KDM4ELMNAHPGD

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-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders PETERSEN UWE (DE) 2001-11-01 US disclosed
US-6288081-B1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolone carboxylic acid and naphthyridone carboxylic acid derivatives for treating Helicobacter pylori infections and the gastroduodenal diseases associated therewith BAYER AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed
EP-0704443-B1 Quinolone and naphthyridone carboxylic acid derivatives BAYER AG (DE) 2000-12-27 EP disclosed
EP-0401623-B1 Process for the preparation of 7-(3-amino- and 3-aminomethyl-1-pyrrolidinyl)-3-quinolinonecarboxylic and -naphthyridinonecarboxylic acids BAYER AG (DE) 2000-01-26 EP disclosed
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
US-5739339-A BACTERICIDES, ANTIPROTOZOA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5723627-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-03-03 US disclosed
US-5648493-A MULTISTAGE PROCESS BY CONDENSING AN OXO COMPOUND WITH AN AMINO COMPOUND TO PRODUCE AN IMINE THEN REACTING WITH AN OXO QUINOLINE CARBOXYLIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
EP-0550016-A1 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
EP-0549857-A1 Antibacterial quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-5061712-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-10-29 US disclosed
EP-0401623-A1 Process for the preparation of 7-(3-amino- and 3-aminomethyl-1-pyrrolidinyl)-3-quinolinonecarboxylic and -naphthyridinonecarboxylic acids BAYER AG (DE) 1990-12-12 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 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 (1 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-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders OXER1, AOC3, PAM ALDH1A1 670/4885DRD3 1156/4885KDM4E 1947/4885

“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.