SCHEMBL3403339

SCHEMBL3403339

CC(C)CN(C(=O)Oc1ccc(C#N)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.33
MAPT P10636 2/20 0.33
GSK3B P49841 1/20 0.33
MGLL Q99685 2/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32
MMP2 P08253 2/20 0.31
MMP3 P08254 1/20 0.31
IKBKB O14920 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL3409896 0.90 MGLL (0.37) SCN9AMAPTGSK3BMGLLTP53
SCHEMBL3403237 0.89 KMT2A (0.34)
SCHEMBL3404301 0.87 BCHE (0.33) MAPTLMNATHRB
SCHEMBL3404345 0.86
SCHEMBL3404963 0.85 MAPT (0.35) SCN9AMAPTGSK3BMGLLTP53
SCHEMBL3407594 0.85 TP53 (0.37) MAPTTP53
SCHEMBL3410046 0.85 MAPT (0.36) SCN9AMAPTMMP2MMP3
SCHEMBL3406375 0.84 MAPT (0.37) SCN9AMAPTGSK3BMGLLTP53
SCHEMBL3406418 0.84 CA2 (0.39) TP53
SCHEMBL3406810 0.83 F2R (0.38) MAPTLMNATHRB

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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 SCN9A 3498/4885MAPT 3030/4885GSK3B 1528/4885

“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.