SCHEMBL13097184

SCHEMBL13097184

Cc1c(COc2cccc3c2CCCN3C(=O)C2CCOCC2)nc2ccc(F)cc2c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.39
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
RORC P51449 1/20 0.36
PTGER1 P34995 1/20 0.35
MAPT P10636 1/20 0.35
HTR6 P50406 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL13106539 0.91 PIK3CG (0.37) DHODHPIK3CAPIK3CGMAPTKCNH2
SCHEMBL13097186 0.90 DHODH (0.39) DHODHPIK3CAPIK3CGMRGPRX4RORC
SCHEMBL13097189 0.88 RORC (0.41) DHODHRORCMAPTALDH1A1
SCHEMBL13097199 0.84 CHRM4 (0.42) DHODHRORCKCNH2
SCHEMBL13107310 0.81 AKT1 (0.36) DHODHPIK3CAPIK3CGMAPT
SCHEMBL13097126 0.80 RORC (0.42) DHODHRORCPTGER1MAPTALDH1A1
SCHEMBL13097143 0.79 HRH3 (0.44) DHODHRORCMAPTALDH1A1
SCHEMBL13097203 0.78 CHRM4 (0.46) RORCMAPTKCNH2
SCHEMBL13107227 0.78 OGG1 (0.39) RORCKCNH2IDO1
SCHEMBL13097194 0.78 RORC (0.45) RORCMAPTKCNH2

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 DHODH 294/4885PIK3CA 681/4885PIK3CG 828/4885

“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.