SCHEMBL5435733

SCHEMBL5435733

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KMT2A Q03164 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ PLA2G7 Q13093 3/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ TSPO P30536 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ IDH1 O75874 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ UTS2R Q9UKP6 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
SCHEMBL5437499 0.90 PLA2G7 (0.54) ALDH1A1HTTSMN1; SMN2KMT2ANPC1
SCHEMBL5438598 0.90 MAPK1 (0.56) ALDH1A1HTTSMN1; SMN2KMT2ANPC1
SCHEMBL5450905 0.87 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2KMT2ANPC1
SCHEMBL5447764 0.86 MAPT (0.48) ALDH1A1HTTSMN1; SMN2KMT2ANPC1
SCHEMBL5437513 0.85 TSPO (0.61) ALDH1A1KMT2ANPC1RAB9AMAPK1
SCHEMBL5434352 0.82 TSPO (0.52) ALDH1A1HTTSMN1; SMN2KMT2ANPC1
SCHEMBL5448579 0.78 MEN1 (0.56) ALDH1A1HTTKMT2ANPC1RAB9A
SCHEMBL5183007 0.76 NPC1 (0.47) ALDH1A1HTTSMN1; SMN2KMT2ANPC1
SCHEMBL5436962 0.75 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TP53KDM4EPOLB
SCHEMBL27710874 0.74 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2AMAPK1TSPO

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 ALDH1A1 3403/4885HTT 2544/4885SMN1; SMN2 1523/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 ALDH1A1 2717/4885HTT 2461/4885SMN1; SMN2 1675/4885

“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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