SCHEMBL3409896

SCHEMBL3409896

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GSK3B P49841 1/20 0.34
SCN9A Q15858 3/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
IKBKB O14920 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL3403339 0.90 SCN9A (0.33) MGLLMAPTTP53LMNAGSK3B
SCHEMBL3404273 0.89 KMT2A (0.35) MEN1KMT2A
SCHEMBL3406375 0.87 MAPT (0.37) MGLLMAPTTP53LMNAGSK3B
SCHEMBL3408841 0.87 KMT2A (0.36) ADORA2AADORA1MAPTLMNAMEN1
SCHEMBL3404450 0.86 MEN1 (0.34) MAPTMEN1KMT2ARAB9A
SCHEMBL3405727 0.86 MMP2 (0.35) MGLLMAPTGSK3BSCN9A
SCHEMBL3405142 0.85 MLYCD (0.43) ADORA2AADORA2BADORA1MAPTTP53
SCHEMBL3404963 0.84 MAPT (0.35) MGLLMAPTTP53LMNAGSK3B
SCHEMBL3406193 0.84 MAPT (0.37) MAPTMEN1KMT2ASCN9ATRPM8
SCHEMBL3408965 0.84 CA2 (0.41) MEN1KMT2AALDH1A1

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 MGLL 737/4885ADORA2A 3246/4885ADORA2B 3756/4885

“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.