SCHEMBL5442699

SCHEMBL5442699

COc1cccc(/C=C\c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ TP53 P04637 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ RELA Q04206 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NFE2L2 Q16236 2/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ NQO2 P16083 1/20 0.45
▸ TLR4 O00206 1/20 0.44
▸ TLR2 O60603 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ PTGER3 P43115 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ FBP1 P09467 1/20 0.43

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
SCHEMBL5440258 1.00 MAPT (0.48) MAPTTP53LMNARELAKDM4E
SCHEMBL5440252 1.00 MAPT (0.48) MAPTTP53LMNARELAKDM4E
SCHEMBL5435705 0.80 BRD4 (0.58) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL5184783 0.80 MAPT (0.54) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL15155245 0.78 RELA (0.77) MAPTTP53RELAALDH1A1NFE2L2
SCHEMBL15155247 0.78 RELA (0.77) MAPTTP53RELAALDH1A1NFE2L2
SCHEMBL5183068 0.76 MAPT (0.54) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL5197402 0.75 MAPT (0.46) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL8968245 0.73 RELA (0.77) RELANFE2L2CYP19A1NQO2
SCHEMBL8968242 0.73 RELA (0.77) RELANFE2L2CYP19A1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 — — US claimed
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 — — US disclosed
US-8399493-B2 Pyridinone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2013-03-19 — — US disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 — — US 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-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 MAPT 2615/4885TP53 4883/4885LMNA 3569/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MAPT 2062/4885TP53 4883/4885LMNA 4135/4885

“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.

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