SCHEMBL13106232

SCHEMBL13106232

CCCCOc1c(C)c(COCCCCOc2cccc(N3CCOCC3)c2)nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39
STAT1 P42224 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13107285 0.93 KDM4E (0.42) GPBAR1CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL13096793 0.91 HTR1A (0.43) KDM4EALDH1A1GAAHSD17B10NPC1
SCHEMBL13107219 0.84 TP53 (0.43) GPBAR1CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL13107170 0.83 KCNA3 (0.47) GPBAR1CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL13107332 0.82 DHODH (0.41) GPBAR1CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL13106252 0.82 ALDH1A1 (0.48) GPBAR1CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL13097085 0.82 PRKDC (0.44) KDM4EALDH1A1GAAHSD17B10NPC1
SCHEMBL13106340 0.81 ADAM17 (0.38) GPBAR1CYSLTR2CYSLTR1ALDH1A1HSD17B10
SCHEMBL13105850 0.80 MEN1 (0.40) KDM4EALDH1A1GAAHSD17B10NPC1
SCHEMBL13106643 0.80 SLC6A2 (0.37) GPBAR1CYSLTR2CYSLTR1ALDH1A1NPC1

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 3 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
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 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 (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 GPBAR1 1262/4885CYSLTR2 2038/4885CYSLTR1 2160/4885

“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.