SCHEMBL266498

SCHEMBL266498

CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 4/20 0.70
FBP1 P09467 1/20 0.70
GRIN1 Q05586 7/20 0.64
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
BLM P54132 2/20 0.50
KMT2A Q03164 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL8463078 0.82 GPR17 (1.00) GPR17FBP1GRIN1
SCHEMBL30559677 0.82 GPR17 (1.00) GPR17FBP1GRIN1
SCHEMBL7532885 0.80 GPR17 (0.58) GPR17FBP1GRIN1MEN1CYP1A2
SCHEMBL27374215 0.78 GPR17 (0.60) GPR17FBP1GRIN1MEN1CYP1A2
SCHEMBL8752557 0.76 GPR17 (0.58) GPR17FBP1GRIN1MEN1CYP1A2
SCHEMBL9076642 0.76 GPR17 (0.55) GPR17FBP1GRIN1MEN1CYP1A2
SCHEMBL9433429 0.76 GPR17 (0.68) GPR17FBP1GRIN1
SCHEMBL9076643 0.75 GPR17 (0.54) GPR17FBP1GRIN1MEN1CYP1A2
SCHEMBL9499172 0.74 GPR17 (0.56) GPR17FBP1GRIN1MEN1CYP1A2
SCHEMBL9740602 0.74 GRIN1 (1.00) GPR17FBP1GRIN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US 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

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 GPR17 36/4885FBP1 3392/4885GRIN1 1862/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 GPR17 30/4885FBP1 3297/4885GRIN1 1671/4885

“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.