SCHEMBL265559

SCHEMBL265559

Fc1cccc(NC2CCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TRPA1 O75762 1/20 0.52
GRM5 P41594 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
GFER P55789 1/20 0.43
HCRTR1 O43613 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL15772337 0.96 KDM4E (0.62) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL1803049 0.92 KDM4E (0.66) KDM4ENPC1RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL1935990 0.90 KDM4E (0.64) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL3768702 0.86 KDM4E (0.46) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL5175873 0.85 CTSL (0.53) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL377391 0.84 KDM4E (0.57) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL2098920 0.84 KDM4E (0.57) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL3427795 0.84 KDM4E (0.49) KDM4ENPC1RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL376508 0.82 CTSL (0.56) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL5550113 0.81 NPC1 (0.55) KDM4ENPC1RAB9AKMT2AMEN1

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 10 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-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-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
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
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 KDM4E 3062/4885NPC1 2947/4885RAB9A 1372/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 KDM4E 3128/4885NPC1 3482/4885RAB9A 1250/4885

“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.