SCHEMBL263126

SCHEMBL263126

O=c1c([N+](=O)[O-])cn(C2CCCC2)c2cc(F)c(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CG P48736 2/20 0.42
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
LMNA P02545 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
TOP2A P11388 1/20 0.38
CYP2C9 P11712 1/20 0.38
TOP2B Q02880 1/20 0.38
MAPT P10636 4/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
PKM P14618 1/20 0.35
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 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
SCHEMBL262948 0.86 MEN1 (0.47) PIK3CDPIK3R1PIK3CAPIK3CGALDH1A1
SCHEMBL1243805 0.75 KDM4E (0.63) PIK3CDPIK3R1PIK3CAPIK3CGALDH1A1
SCHEMBL8483930 0.72 KDM4E (0.44) PIK3CDPIK3R1PIK3CAPIK3CGALDH1A1
SCHEMBL5908567 0.70 ALDH1A1 (0.43) PIK3CDPIK3R1PIK3CAPIK3CGALDH1A1
SCHEMBL29576548 0.70 ALDH1A1 (0.43) PIK3CDPIK3R1PIK3CAPIK3CGALDH1A1
SCHEMBL5777474 0.69 KDM1A (0.43) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29442121 0.69 KDM4E (0.69) PIK3CDPIK3R1PIK3CAPIK3CGALDH1A1
SCHEMBL501238 0.69 KDM4E (0.69) PIK3CDPIK3R1PIK3CAPIK3CGALDH1A1
SCHEMBL5777435 0.68 MEN1 (0.55) PIK3CDPIK3R1PIK3CAPIK3CGALDH1A1
SCHEMBL10923479 0.67 POLB (0.46) PIK3CDPIK3R1PIK3CAPIK3CGALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 PIK3CD 336/4885PIK3R1 171/4885PIK3CA 318/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 PIK3CD 500/4885PIK3R1 158/4885PIK3CA 518/4885

“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.