SCHEMBL5198716

SCHEMBL5198716

COc1ccc(-c2ccc(=O)n(Cc3ccc(I)nc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 1/20 0.45
▸ PDE5A O76074 1/20 0.41
▸ CYP11B1 P15538 2/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ ALKBH1 Q13686 1/20 0.38
▸ NPBWR1 P48145 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ APP P05067 2/20 0.38

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
SCHEMBL5442844 0.86 CYP11B1 (0.55) SDHBPDE5ACYP11B1CASP3MEN1
SCHEMBL16275125 0.86 KDR (0.46) SDHBPDE5ACYP11B1HRH3GRM2
Hydrochloric Acid SCHEMBL5441463 0.85 KDR (0.46) SDHBPDE5ACYP11B1HRH3GRM2
SCHEMBL5196705 0.85 SDHB (0.48) SDHBPDE5AHRH3GRM2NPBWR1
SCHEMBL5183369 0.84 SDHB (0.45) SDHBPDE5ACYP11B1HRH3GRM2
SCHEMBL5445065 0.84 SDHB (0.54) SDHBPDE5AHRH3GRM2CMA1
SCHEMBL8265074 0.82 SDHB (0.57) SDHBGRM2ALDH1A1
SCHEMBL5185016 0.82 SDHB (0.43) SDHBPDE5ACYP11B1HRH3GRM2
Hydrochloric Acid SCHEMBL5182960 0.81 SDHB (0.56) SDHBGRM2ALDH1A1
SCHEMBL5196104 0.81 SDHB (0.49) SDHBPDE5AHRH3GRM2CMA1

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 1074/4885PDE5A 1352/4885CYP11B1 1181/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 SDHB 1134/4885PDE5A 1089/4885CYP11B1 1391/4885

“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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