SCHEMBL13097085

SCHEMBL13097085

Cc1c(COc2cccc(N3CCOCC3)c2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK14 Q16539 1/20 0.44
P2RY12 Q9H244 1/20 0.43
AHR P35869 1/20 0.43
AGXT P21549 1/20 0.42
MAPT P10636 3/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
HCRTR1 O43613 1/20 0.42
RAB9A P51151 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL13096793 0.91 HTR1A (0.43) PRKDCATMALDH1A1MAPK14P2RY12
SCHEMBL13097081 0.90 MAPT (0.43) AGXTMAPTHTR1AHTR1DHTR1B
SCHEMBL13107285 0.89 KDM4E (0.42) ATMALDH1A1AHRMAPTHTR1A
SCHEMBL13097314 0.87 MAOB (0.44) MAPTHTR1AHTR1DHTR1BKDM4E
SCHEMBL13097461 0.87 DDB1 (0.43) PRKDCATMALDH1A1P2RY12MAPT
SCHEMBL13097318 0.86 PRMT5 (0.44) ALDH1A1MAPTKDM4ELMNANPC1
SCHEMBL13096988 0.86 MCHR1 (0.50) ALDH1A1KDM4EGAAHTTSMN1; SMN2
SCHEMBL13097058 0.86 SLC6A2 (0.38) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3091096 0.86 MAPT (0.43) PRKDCATMALDH1A1P2RY12MAPT
SCHEMBL13096970 0.84 MAOB (0.51) MAPTNPC1RAB9AHTTSMN1; SMN2

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 PRKDC 3668/4885ATM 4262/4885ALDH1A1 524/4885

“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.