SCHEMBL3405142

SCHEMBL3405142

CCN(C(=O)c1ccc(C#N)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.43
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
TP53 P04637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.38
ITK Q08881 2/20 0.36
TXK P42681 1/20 0.36
NSD2 O96028 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP30 Q70CQ3 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK14 Q16539 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
SCHEMBL3407594 0.89 TP53 (0.37) MLYCDADORA2AADORA2BADORA1TP53
SCHEMBL3407755 0.87 GPR119 (0.34) MLYCDMEN1NPC1KMT2AMAPT
SCHEMBL3408418 0.86 MAPK14 (0.36) MEN1NPC1KMT2AALDH1A1HPGD
SCHEMBL3406797 0.85 TP53 (0.43) TP53L3MBTL1NPC1MAPTITK
SCHEMBL3409896 0.85 MGLL (0.37) ADORA2AADORA2BADORA1TP53MEN1
SCHEMBL3410575 0.84 POLB (0.37) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL3408849 0.84 MLYCD (0.40) MLYCDKMT2AMAPTALDH1A1HPGD
SCHEMBL3401788 0.84 MEN1 (0.36) MLYCDTP53L3MBTL1MEN1NPC1
SCHEMBL3405070 0.83 MAPT (0.36) TP53L3MBTL1MEN1NPC1KMT2A
SCHEMBL3403912 0.83 MLYCD (0.40) MLYCDALDH1A1NPSR1KDM4ESMN1; SMN2

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 MLYCD 4/4885ADORA2A 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.