SCHEMBL3404963

SCHEMBL3404963

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
SCN9A Q15858 8/20 0.33
CA2 P00918 1/20 0.33
TP53 P04637 2/20 0.32
THRB P10828 1/20 0.32
GSK3B P49841 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
MGLL Q99685 1/20 0.32
POLB P06746 1/20 0.32
PANK3 Q9H999 1/20 0.32
LMNA P02545 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
SCHEMBL3409793 0.87 KMT2A (0.37) CA2
SCHEMBL3407193 0.86 MAPT (0.34) MAPTCA2THRBCYP11B1CYP11B2
SCHEMBL3406375 0.86 MAPT (0.37) MAPTSCN9ACA2TP53THRB
SCHEMBL3403339 0.85 SCN9A (0.33) MAPTSCN9ATP53THRBGSK3B
SCHEMBL3405643 0.85 CA2 (0.33) MAPTCA2
SCHEMBL3409896 0.84 MGLL (0.37) MAPTSCN9ATP53THRBGSK3B
SCHEMBL3405070 0.84 MAPT (0.36) MAPTCA2TP53GSK3B
SCHEMBL3409343 0.84 CA2 (0.41) CA2TP53
SCHEMBL3408861 0.84 MAPT (0.37) MAPTCA2CYP11B1CYP11B2
SCHEMBL2866011 0.83 DYRK1A (0.39) MAPTSCN9ACA2GSK3B

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 MAPT 3030/4885SCN9A 3498/4885CA2 297/4885

“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.