SCHEMBL13097199

SCHEMBL13097199

Cc1c(COc2cccc3c2CN(C(=O)C2CCOCC2)CC3)nc2ccc(F)cc2c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA5 P31644 3/20 0.42
KCNH2 Q12809 3/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.41
RORC P51449 1/20 0.40
DHODH Q02127 2/20 0.39
KCNK3 O14649 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 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
SCHEMBL13107317 0.91 GABRG2 (0.41) CHRM4GABRG2GABRB3GABRA5KCNH2
SCHEMBL13097201 0.90 PTGDR2 (0.42) PTGDR2RORCDHODH
SCHEMBL13097194 0.90 RORC (0.45) CHRM4GABRG2GABRB3GABRA5KCNH2
SCHEMBL13097203 0.90 CHRM4 (0.46) CHRM4GABRG2GABRB3GABRA5KCNH2
SCHEMBL13097184 0.84 DHODH (0.39) KCNH2RORCDHODH
SCHEMBL13097143 0.83 HRH3 (0.44) CHRM4RORCDHODH
SCHEMBL13097126 0.83 RORC (0.42) CHRM4RORCDHODH
SCHEMBL13106289 0.81 S1PR5 (0.39) PTGDR2RORCDHODH
SCHEMBL13097189 0.81 RORC (0.41) RORCDHODH
SCHEMBL13107319 0.80 CHRM4 (0.47) CHRM4GABRG2GABRB3GABRA5KCNH2

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 CHRM4 1865/4885GABRG2 4017/4885GABRB3 2996/4885

“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.