SCHEMBL13097201

SCHEMBL13097201

Cc1c(COc2cccc3c2CN(C(=O)CC2CCOCC2)CC3)nc2ccc(F)cc2c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.42
RORC P51449 1/20 0.42
DHODH Q02127 4/20 0.38
ENPP2 Q13822 1/20 0.37
GRM5 P41594 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
S1PR5 Q9H228 1/20 0.36
GUCY1B2 O75343 1/20 0.35
GUCY1A2 P33402 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL13106289 0.91 S1PR5 (0.39) PTGDR2RORCDHODHENPP2GRM5
SCHEMBL13097199 0.90 CHRM4 (0.42) PTGDR2RORCDHODH
SCHEMBL13097196 0.90 RORC (0.46) RORCGRM5LMNAKMT2AALDH1A1
SCHEMBL13097162 0.90 RORC (0.46) RORCGRM5LMNAKMT2AALDH1A1
SCHEMBL13097186 0.85 DHODH (0.39) RORCDHODHLMNAALDH1A1CNR1
SCHEMBL13097144 0.84 RORC (0.43) RORCDHODHLMNAALDH1A1CNR1
SCHEMBL13097130 0.84 RORC (0.43) RORCDHODHLMNAKMT2AALDH1A1
SCHEMBL13107317 0.81 GABRG2 (0.41) PTGDR2S1PR5
SCHEMBL13097191 0.81 RORC (0.42) RORCLMNAKMT2AALDH1A1CNR1
SCHEMBL13107117 0.81 RORC (0.37) RORCGRM5ALDH1A1L3MBTL1

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 PTGDR2 3092/4885RORC 1412/4885DHODH 294/4885

“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.