SCHEMBL5195966

SCHEMBL5195966

COc1ccc(-c2ccc(=O)n(Cc3ccc(C#C[Si](C)(C)C)nc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 1/20 0.41
▸ MCHR1 Q99705 2/20 0.40
▸ ACACB O00763 1/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ PDE5A O76074 1/20 0.37
▸ CYP11B1 P15538 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ NPBWR1 P48145 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35

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
SCHEMBL5185016 0.86 SDHB (0.43) SDHBMCHR1ACACBGRM2PDE5A
SCHEMBL16275125 0.81 KDR (0.46) SDHBMCHR1GRM2PDE5ACYP11B1
SCHEMBL5442844 0.81 CYP11B1 (0.55) SDHBPDE5ACYP11B1MAPTMEN1
Hydrochloric Acid SCHEMBL5441463 0.80 KDR (0.46) SDHBMCHR1GRM2PDE5ACYP11B1
SCHEMBL5198716 0.80 SDHB (0.45) SDHBGRM2PDE5ACYP11B1HRH3
SCHEMBL5196705 0.80 SDHB (0.48) SDHBGRM2PDE5AHRH3NPBWR1
SCHEMBL5183369 0.79 SDHB (0.45) SDHBMCHR1GRM2PDE5ACYP11B1
SCHEMBL5445065 0.79 SDHB (0.54) SDHBGRM2PDE5AHRH3ALDH1A1
SCHEMBL8265074 0.77 SDHB (0.57) SDHBGRM2ALDH1A1
Hydrochloric Acid SCHEMBL5182960 0.76 SDHB (0.56) SDHBGRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 — — EP disclosed
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
EP-1799646-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-27 — — EP disclosed
WO-2006030032-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 — — WO 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 SDHB 1074/4885MCHR1 383/4885ACACB 4085/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 SDHB 1134/4885MCHR1 483/4885ACACB 3668/4885

“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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