SCHEMBL7054038

SCHEMBL7054038

CCC=C(C(=O)OCC)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPSR1 Q6W5P4 5/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
GLO1 Q04760 1/20 0.37
MAPK1 P28482 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
DHODH Q02127 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP2D6 P10635 2/20 0.34
PLIN1 O60240 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7010290 0.90 MAPT (0.41) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL12889528 0.88 MEN1 (0.44) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL2924716 0.88 MAPT (0.40) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL5525147 0.88 NPSR1 (0.40) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL9095929 0.87 MAPT (0.39) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL10773784 0.86 NPSR1 (0.40) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL8434387 0.86 NPSR1 (0.40) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL10544905 0.86 NPSR1 (0.42) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL8160156 0.86 CES2 (0.50) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL10544901 0.86 NPSR1 (0.42) MEN1KMT2ANPSR1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5213836-A None JP disclosed
CN-117903163-A Fluoroquinolone compound with spiro structure at C7 position and application thereof 广东工业大学 2024-04-19 CN disclosed
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 EP disclosed
US-6777420-B2 A URACIL COMPOUNDS AS ENZYME INHIBITORS, INHIBIT BACTERIAL DNA POLYMERASE, TREATING BACTERIAL DISEASES MICROBIOTIX, INC. 2004-08-17 US disclosed
US-20030181719-A1 Novel heterocyclic antibacterial compounds MICROBIOTIX, INC. 2003-09-25 US disclosed
EP-0952151-B1 Intermediates for use in preparing novel pyridonecarboxylic acid derivatives or their salts WAKUNAGA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
EP-0992501-B1 Pyridonecarboxylic acid derivatives as antibacterial agents WAKUNAGA PHARMA CO LTD (JP) 2002-08-28 EP disclosed
EP-0911327-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2001-12-05 EP disclosed
US-6156903-A Pyridonecarboxylic acid derivatives or their salts, and antibacterial agents containing the same as their effective components WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-12-05 US disclosed
US-6133284-A EXCELLENT BACTERICIDAL PROPERTIES AND ORAL ABSORPTION; INFECTIONS FROM GRAMNEGATIVE AND -POSITIVE BACTERIA; INTESTINAL ABSORPTION, METABOLIC STABILITY; SIDE EFFECT REDUCTION; NONPHOTOTOXICITY AND NONCYTOTOXICITY WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
US-4762831-A PROMOTE ANIMAL GROWTH BAYER AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
US-4755513-A Antimicrobial 1-substituted phenyl-4-oxoquinoline-3-carboxylic acid compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-07-05 US disclosed
US-4753925-A Antibacterial 1,7-diamino-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US disclosed
US-4705788-A Novel antibacterial 7-amino-1(substituted cyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
US-4684648-A Antimicrobial 1-substituted phenyl-4-oxoquinoline-3-carboxylic acid compounds and compositions thereof OTSUKA PHARMACEUTICAL COMPANY LIMITED (JP) 1987-08-04 US disclosed
EP-0191185-A1 Quinoline-carboxylic acid derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1986-08-20 EP disclosed
US-4599334-A 7-(3-aryl-1-piperazinyl)- and 7-(3-cyclohexyl-1-piperazinyl)-3-quinolonecarboxylic acid antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1986-07-08 US disclosed
EP-0181521-A1 Antimicrobial 1-substituted Phenyl-4-oxoquinoline-3-carboxylic acid compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-21 EP disclosed
US-4588726-A 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(3-oxo-1-piperazinyl)-3-quinolinecarboxylic acid antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 US disclosed
US-4556658-A 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 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 (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-20030181719-A1 Novel heterocyclic antibacterial compounds TOP1, TOP2A, TOP2B MEN1 4240/4885KMT2A 2259/4885NPSR1 4813/4885

“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.