SCHEMBL13097170

SCHEMBL13097170

Cc1c(COc2cccc(N3CCCCC3=O)c2)nc2ccc(F)cc2c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.42
FFAR4 Q5NUL3 4/20 0.42
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
CACNA2D1 P54289 1/20 0.40
GRM5 P41594 3/20 0.39
DHODH Q02127 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 1/20 0.38
HPD P32754 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL13097417 0.91 FFAR1 (0.45) FFAR1FFAR4HTR1AHTR1DHTR1B
SCHEMBL13097421 0.90 FFAR1 (0.44) FFAR1FFAR4HTR1AHTR1DHTR1B
SCHEMBL13097462 0.90 DDB1 (0.41) GRM5DHODHMAPT
SCHEMBL13107299 0.89 FFAR1 (0.42) FFAR1FFAR4HTR1AHTR1DHTR1B
SCHEMBL13097414 0.88 PARP1 (0.45) FFAR1FFAR4HTR1AHTR1DHTR1B
SCHEMBL13097446 0.87 MAP4K1 (0.42) GRM5DHODHMAPT
SCHEMBL3092081 0.83 CYP2D6 (0.43) FFAR1FFAR4HTR1AHTR1DHTR1B
SCHEMBL13107346 0.81 FFAR1 (0.44) FFAR1FFAR4HTR1AHTR1DHTR1B
SCHEMBL13097148 0.80 KDM4E (0.49) DHODHMAPT
SCHEMBL13097461 0.80 DDB1 (0.43) GRM5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK FFAR1 1105/4885FFAR4 838/4885HTR1A 2696/4885

“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.