SCHEMBL1002245

SCHEMBL1002245

O=c1cc(C=Cc2ccc(F)cc2)cc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.53
IP6K3 Q96PC2 1/20 0.53
NFE2L2 Q16236 9/20 0.48
PTGS1 P23219 2/20 0.44
HSD11B1 P28845 1/20 0.41
NQO2 P16083 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
APP P05067 1/20 0.40
FBP1 P09467 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL1002244 1.00 IP6K1 (0.53) IP6K1IP6K3NFE2L2PTGS1HSD11B1
SCHEMBL2893331 0.82 NFE2L2 (0.62) NFE2L2PTGS1NQO2PTGS2APP
SCHEMBL2881273 0.81 AHR (0.53) PTGS1ALOX5PTGS2FBP1MAOA
SCHEMBL2881704 0.81 NOTUM (0.52) IP6K1IP6K3NFE2L2MAOAMAOB
SCHEMBL2881701 0.81 NOTUM (0.52) IP6K1IP6K3NFE2L2MAOAMAOB
SCHEMBL2895409 0.74 SCN8A (0.41) NQO2ALOX5PTGS2APPMAOA
SCHEMBL2895408 0.74 SCN8A (0.41) NQO2ALOX5PTGS2APPMAOA
SCHEMBL22468800 0.72 NFE2L2 (0.78) NFE2L2PTGS1HSD11B1NQO2ALOX5
SCHEMBL13766470 0.72 NFE2L2 (0.78) NFE2L2PTGS1HSD11B1NQO2ALOX5
SCHEMBL700051 0.72 NFE2L2 (0.78) NFE2L2PTGS1HSD11B1NQO2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875633-B2 4-[(4-Chlorobenzyl)oxy]-1-(4-[(1E)-3-(methylamino)-1-propen-1-yl]phenyl)pyridin-2(1H)-one; remedy for metabolic disorders such as obesity, diabetes, hormone disorder; cardiovascular disorders (stenocardia, acute or congestive heart failure); nervous system disorders (bulimia, anxiety, epilepsy etc.) BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
EP-1921065-B1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMA CO LTD (JP) 2010-10-20 EP disclosed
US-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20090137587-A1 Phenylpyridone Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1921065-A1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 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-20070208046-A1 Pyridone derivative CHRM1, XDH, MTR IP6K1 3570/4885IP6K3 3046/4885NFE2L2 984/4885
US-20090137587-A1 Phenylpyridone Derivative NAT1, NPR1, PC IP6K1 3298/4885IP6K3 3969/4885NFE2L2 118/4885

“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.