SCHEMBL5868633

SCHEMBL5868633

Cc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HTT P42858 3/20 0.53
STAT3 P40763 2/20 0.51
EPHA2 P29317 1/20 0.43
FLT4 P35916 1/20 0.43
GSK3B P49841 1/20 0.43
RARB P10826 1/20 0.43
TBXAS1 P24557 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
HSP90AA1 P07900 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 2/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
XBP1 P17861 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL6214209 0.90 ALDH1A1 (0.64) ALDH1A1HTTSTAT3EPHA2FLT4
SCHEMBL5868683 0.86 ALDH1A1 (0.53) ALDH1A1HTTSTAT3EPHA2FLT4
SCHEMBL8089761 0.86 ALDH1A1 (0.53) ALDH1A1HTTSTAT3EPHA2FLT4
SCHEMBL8112077 0.86 HTT (0.60) ALDH1A1HTTSTAT3KDM4EKMT2A
SCHEMBL8557898 0.85 KMT2A (0.52) ALDH1A1HTTSTAT3EPHA2FLT4
SCHEMBL8558490 0.84 ALDH1A1 (0.50) ALDH1A1HTTSTAT3EPHA2FLT4
SCHEMBL8102487 0.84 EPHA2 (0.43) ALDH1A1HTTSTAT3EPHA2FLT4
SCHEMBL8321829 0.83 ALDH1A1 (0.50) ALDH1A1HTTSTAT3EPHA2FLT4
SCHEMBL8622069 0.82 KMT2A (0.54) ALDH1A1HTTSTAT3EPHA2FLT4
SCHEMBL10588580 0.82 KMT2A (0.54) ALDH1A1HTTSTAT3EPHA2FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098219-B2 Quinolone derivatives WOCKHART LIMITED (IN) 2006-08-29 US disclosed
US-20020177559-A1 Quinolone derivatives WOCKHARDT LIMITED 2002-11-28 US disclosed
EP-0565132-B1 Benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2000-10-25 EP disclosed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
US-5591744-A 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-01-07 US disclosed
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
EP-0319906-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-14 EP disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 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 (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-20020177559-A1 Quinolone derivatives ABCB11, ABCB1, ABCG2 ALDH1A1 2312/4885HTT 1568/4885STAT3 4867/4885

“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.