SCHEMBL5447764

SCHEMBL5447764

COc1ccc(-c2ccc(=O)n(CC(=O)N(C)Cc3ccc([N+](=O)[O-])cc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ HTT P42858 2/20 0.46
▸ KCNJ1 P48048 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PLA2G7 Q13093 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ APP P05067 1/20 0.40
▸ TSPO P30536 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL5435733 0.86 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1HTTPLA2G7
SCHEMBL5437499 0.85 PLA2G7 (0.54) SMN1; SMN2ALDH1A1HTTPLA2G7KMT2A
SCHEMBL5438598 0.85 MAPK1 (0.56) SMN1; SMN2ALDH1A1HTTKMT2ARAB9A
SCHEMBL5450905 0.83 ALDH1A1 (0.55) MAPTSMN1; SMN2ALDH1A1HTTPLA2G7
SCHEMBL5430742 0.81 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1HTTKCNJ1
SCHEMBL5437513 0.81 TSPO (0.61) ALDH1A1KMT2ARAB9AMEN1POLB
SCHEMBL5434352 0.78 TSPO (0.52) MAPTSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL8790714 0.76 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1HTTKCNJ1
SCHEMBL8789459 0.76 MAPK1 (0.68) MAPTSMN1; SMN2ALDH1A1HTTKCNH2
SCHEMBL16585815 0.73 MEN1 (0.61) MAPTSMN1; SMN2ALDH1A1HTTKCNJ1

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-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
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 — — CN 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
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 — — CN disclosed
CN-101061098-A Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 — — CN 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 2615/4885SMN1; SMN2 1523/4885ALDH1A1 3403/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MAPT 2062/4885SMN1; SMN2 1675/4885ALDH1A1 2717/4885

“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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