SCHEMBL5450905

SCHEMBL5450905

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ PLA2G7 Q13093 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LTB4R2 Q9NPC1 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ BMP1 P13497 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ TSPO P30536 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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 0.89 PLA2G7 (0.54) ALDH1A1TP53PLA2G7SMN1; SMN2HTT
SCHEMBL5435733 0.87 ALDH1A1 (0.50) ALDH1A1TP53PLA2G7SMN1; SMN2HTT
SCHEMBL5438598 0.86 MAPK1 (0.56) ALDH1A1SMN1; SMN2HTTKMT2ANPC1
SCHEMBL5447764 0.83 MAPT (0.48) ALDH1A1PLA2G7SMN1; SMN2HTTKMT2A
SCHEMBL5437513 0.81 TSPO (0.61) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5444680 0.80 SDHB (0.57) ALDH1A1TP53SMN1; SMN2HTTKMT2A
SCHEMBL5434352 0.79 TSPO (0.52) ALDH1A1TP53SMN1; SMN2HTTKMT2A
SCHEMBL5436962 0.72 ALDH1A1 (0.55) ALDH1A1TP53SMN1; SMN2MAPT
SCHEMBL5867397 0.71 MTOR (0.49) ALDH1A1HTTKMT2AMEN1NPC1
SCHEMBL5183007 0.70 NPC1 (0.47) ALDH1A1TP53SMN1; SMN2HTTKMT2A

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 3403/4885TP53 4883/4885PLA2G7 2009/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 ALDH1A1 2717/4885TP53 4883/4885PLA2G7 1437/4885

“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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