SCHEMBL263120

SCHEMBL263120

CCO/C=C(\C(=O)OCC)C(=O)c1cc(F)c(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 3/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL263121 1.00 CYP1A2 (0.41) CYP1A2CYP2C19MAPTNPSR1LMNA
SCHEMBL2090060 0.93 MAPT (0.40) CYP1A2CYP2C19MAPTNPSR1LMNA
SCHEMBL9684756 0.93 MAPT (0.40) CYP1A2CYP2C19MAPTNPSR1LMNA
SCHEMBL2090061 0.93 MAPT (0.40) CYP1A2CYP2C19MAPTNPSR1LMNA
SCHEMBL10592409 0.91 GAA (0.41) CYP1A2CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL10592997 0.91 GAA (0.41) CYP1A2CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL10575631 0.88 POLB (0.39) CYP1A2CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL10575641 0.88 POLB (0.39) CYP1A2CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL9686620 0.87 MAPT (0.43) CYP1A2CYP2C19MAPTNPSR1LMNA
SCHEMBL7011224 0.87 MAPT (0.43) CYP1A2CYP2C19MAPTNPSR1LMNA

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 18 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
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
EP-0303291-B1 Fluorinated benzoyl compounds ASAHI GLASS CO LTD (JP) 1995-04-26 EP disclosed
EP-0321191-B1 Heterocyclic-substituted quinoline-carboxylic acids PFIZER (US) 1994-11-02 EP disclosed
US-5214051-A Thiazolyl and oxazolyl[5,4-c]piperidyl-substituted quinolone-carboxylic acid and related analogs thereof having antibacterial properties are disclosed PFIZER INC. (US) 1993-05-25 US 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
US-5037834-A Heterocycylic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1991-08-06 US 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
WO-1989005643-A1 HETEROCYCLIC-SUBSTITUTED QUINOLINE-CARBOXYLIC ACIDS PFIZER INC. (US) 1989-06-29 WO disclosed
EP-0321191-A2 Heterocyclic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1989-06-21 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 CYP1A2 1317/4885CYP2C19 153/4885MAPT 4880/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 CYP1A2 2147/4885CYP2C19 281/4885MAPT 4873/4885

“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.