SCHEMBL2879571

SCHEMBL2879571

Fc1ccc(C=Cc2ccnc(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 9/20 0.52
GRM4 Q14833 1/20 0.50
PTGS1 P23219 2/20 0.47
KDM1A O60341 2/20 0.47
IP6K1 Q92551 1/20 0.44
IP6K3 Q96PC2 1/20 0.44
NQO2 P16083 1/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
APP P05067 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 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
SCHEMBL2879570 1.00 NFE2L2 (0.52) NFE2L2GRM4PTGS1KDM1AIP6K1
SCHEMBL7970830 0.89 LOXL2 (0.45) NFE2L2GRM4KDM1AHDAC1HDAC6
SCHEMBL7970832 0.89 LOXL2 (0.45) NFE2L2GRM4KDM1AHDAC1HDAC6
SCHEMBL12185927 0.85 KDM1A (0.55) GRM4KDM1ANQO2APP
SCHEMBL12185880 0.85 NQO2 (0.50) NFE2L2PTGS1KDM1ANQO2ALOX5
SCHEMBL29905751 0.84 KDM1A (0.57) NFE2L2GRM4PTGS1KDM1AIP6K1
SCHEMBL4056984 0.81 PTGS1 (0.53) NFE2L2GRM4PTGS1KDM1AIP6K1
SCHEMBL4056989 0.81 PTGS1 (0.53) NFE2L2GRM4PTGS1KDM1AIP6K1
SCHEMBL2641826 0.80 CYP1A2 (0.61) NFE2L2PTGS1KDM1ANQO2ALOX5
SCHEMBL2641860 0.80 KCNH2 (0.50) APP

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-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R NFE2L2 1785/4885GRM4 461/4885PTGS1 1485/4885

“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.