SCHEMBL2881701

SCHEMBL2881701

O=c1cc(/C=C/c2ccccc2)cc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
IP6K1 Q92551 2/20 0.49
IP6K3 Q96PC2 1/20 0.49
IP6K2 Q9UHH9 1/20 0.49
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
DAO P14920 1/20 0.44
NFE2L2 Q16236 2/20 0.44
CYP19A1 P11511 1/20 0.44
RELA Q04206 1/20 0.44
DPYD Q12882 1/20 0.43
MAPK1 P28482 1/20 0.42
NSD2 O96028 1/20 0.42
ABL1 P00519 1/20 0.42
PPARG P37231 1/20 0.42
RIN1 Q13671 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
SCHEMBL2881704 1.00 NOTUM (0.52) NOTUMIP6K1IP6K3IP6K2MAOA
SCHEMBL2893331 0.82 NFE2L2 (0.62) MAOAMAOBNFE2L2RELA
SCHEMBL2881273 0.81 AHR (0.53) MAOAMAOBKDM4ECYP1A2DAO
SCHEMBL2881271 0.81 AHR (0.53) MAOAMAOBKDM4ECYP1A2DAO
SCHEMBL1002245 0.81 IP6K1 (0.53) IP6K1IP6K3MAOAMAOBNFE2L2
SCHEMBL1002244 0.81 IP6K1 (0.53) IP6K1IP6K3MAOAMAOBNFE2L2
SCHEMBL1753475 0.74
SCHEMBL2895409 0.73 SCN8A (0.41) MAOAMAOBKDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL28103981 0.72 CYP2A6 (0.48) NOTUMKDM4ENSD2ABL1PPARG
SCHEMBL9158935 0.72

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 NOTUM 1612/4885IP6K1 1967/4885IP6K3 1708/4885

“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.