SCHEMBL1241168

SCHEMBL1241168

CCOC(=O)CC(=O)c1cc(F)c(F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MGLL Q99685 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
SCHEMBL4714980 0.92 TDP1 (0.42) GAACYP1A2CYP2C19HPGDMAPT
SCHEMBL7009795 0.91 TDP1 (0.41) GAACYP1A2CYP2C19HPGDMAPT
SCHEMBL30680417 0.89 ALDH1A1 (0.42) GAACYP1A2CYP2C19HPGDMAPT
SCHEMBL9219919 0.88 HTT (0.51) GAACYP1A2CYP2C19HPGDMAPT
SCHEMBL9745314 0.85 HTT (0.58) GAACYP1A2CYP2C19HPGDMAPT
SCHEMBL9186659 0.85 GAA (0.56) GAACYP1A2CYP2C19HPGDMAPT
SCHEMBL30071516 0.85 GAA (0.47) GAACYP1A2CYP2C19MAPTLMNA
SCHEMBL670736 0.85 GAA (0.47) GAACYP1A2CYP2C19MAPTLMNA
SCHEMBL7162469 0.85 MEN1 (0.41) GAACYP1A2CYP2C19HPGDMAPT
SCHEMBL1301604 0.84 LMNA (0.43) GAACYP1A2CYP2C19HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303291-A2 Fluorinated benzoyl compounds ASAHI GLASS COMPANY LTD. (JP) 1989-02-15 EP claimed
JP-6048990-A None JP disclosed
US-7879878-B2 such as {2-[({[7-(cyclohexylamino)-6-fluoro-4-oxo-1-[(3S)-tetrahydrofuran-3-yl]-1,4-dihydroquinolin-3-yl}carbonyl)amino]ethyl}phosphonic acid, used as platelet aggregation inhibitor and purinergic receptor (P2Y12) inhibitors; therapy for circulatory diseases involving thrombosis via platelet aggregation ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US disclosed
CN-100471842-C Carbostyril derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-03-25 CN disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US disclosed
CN-1826321-A Quinolone derivative or its salt YAMANOUCHI PHARMA CO LTD (JP) 2006-08-30 CN disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 EP disclosed
EP-0303291-B1 Fluorinated benzoyl compounds ASAHI GLASS CO LTD (JP) 1995-04-26 EP disclosed
US-5380860-A Preparation of beta-ketoesters useful in preparing quinolone antibiotics PFIZER INC. (US) 1995-01-10 US disclosed
JP-H0648990-A PREPARATION OF BETA-KETOESTERS USEFUL IN PREPARING QUNOLONE ANTIBIOTICS PFIZER INC 1994-02-22 JP disclosed
EP-0527154-A1 PROCESS FOR PREPARING 3,4-DIFLUOROANILINE Pfizer Hospital Products Group, Inc. (US) 1993-02-17 EP disclosed
US-5093515-A Intermediate for quinolone carboxylic acid bactericide ASAHI GLASS COMPANY LTD. (JP) 1992-03-03 US disclosed
US-5068449-A FLUORINATED BENZOYL COMPOUNDS ASAHI GLASS COMPANY, LTD. (JP) 1991-11-26 US disclosed
WO-1991017138-A1 PROCESS FOR PREPARING 3,4-DIFLUOROANILINE PFIZER INC. (US) 1991-11-14 WO disclosed
EP-0449445-A2 Preparation of beta-ketoesters useful in preparing quinolone antibiotics PFIZER INC. (US) 1991-10-02 EP disclosed
US-4994610-A Process for preparing fluorinated benzoyl compounds ASAHI GLASS COMPANY, LTD. (JP) 1991-02-19 US disclosed
EP-0342849-A2 Intermediates for preparing 1,4-dihydro-4-oxo-quinoline-3-carboxylic acid esters PFIZER INC. (US) 1989-11-23 EP disclosed
EP-0303291-A2 Fluorinated benzoyl compounds ASAHI GLASS COMPANY LTD. (JP) 1989-02-15 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS GAA 1758/4885CYP1A2 2490/4885CYP2C19 200/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS GAA 1758/4885CYP1A2 2490/4885CYP2C19 200/4885

“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.