SCHEMBL2881273

SCHEMBL2881273

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.53
DAO P14920 1/20 0.47
CYP1A2 P05177 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CNR1 P21554 1/20 0.40
MAP4K4 O95819 1/20 0.40
FBP1 P09467 1/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
IDH1 O75874 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL2881271 1.00 AHR (0.53) AHRDAOCYP1A2ALOX5PTGS1
SCHEMBL1002244 0.81 IP6K1 (0.53) ALOX5PTGS1PTGS2FBP1MAOB
SCHEMBL1002245 0.81 IP6K1 (0.53) ALOX5PTGS1PTGS2FBP1MAOB
SCHEMBL2881701 0.81 NOTUM (0.52) DAOCYP1A2MAOBMAOAKDM4E
SCHEMBL2881704 0.81 NOTUM (0.52) DAOCYP1A2MAOBMAOAKDM4E
SCHEMBL4538169 0.80 NFE2L2 (0.41) AHRPTGS1PTGS2MAP4K4ALDH1A1
SCHEMBL4538173 0.80 NFE2L2 (0.41) AHRPTGS1PTGS2MAP4K4ALDH1A1
SCHEMBL2895408 0.74 SCN8A (0.41) AHRCYP1A2ALOX5PTGS2MAOB
SCHEMBL2895409 0.74 SCN8A (0.41) AHRCYP1A2ALOX5PTGS2MAOB
SCHEMBL1722360 0.73 AHR (0.47) AHRDAOCYP1A2ALOX5PTGS1

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 AHR 169/4885DAO 582/4885CYP1A2 180/4885

“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.