SCHEMBL3406797

SCHEMBL3406797

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NSD2 O96028 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
DYRK1A Q13627 1/20 0.34
GSK3A P49840 1/20 0.34

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
SCHEMBL3406504 0.85 SMN1; SMN2 (0.39) TP53MAPTHPGDNPSR1SMN1; SMN2
SCHEMBL3405142 0.85 MLYCD (0.43) TP53ALDH1A1MAPTHPGDNPSR1
SCHEMBL3405070 0.85 MAPT (0.36) TP53ALDH1A1MAPTHPGDNPSR1
SCHEMBL3405278 0.85 SMN1; SMN2 (0.36) TP53ALDH1A1MAPTHPGDNPSR1
SCHEMBL3408068 0.85 LMNA (0.37) ALDH1A1MAPTSMN1; SMN2LMNANPC1
SCHEMBL3406375 0.83 MAPT (0.37) TP53MAPTLMNARAB9AGSK3B
SCHEMBL3406254 0.83 LMNA (0.45) TP53SMN1; SMN2LMNANPC1CASP3
SCHEMBL3407594 0.83 TP53 (0.37) TP53ALDH1A1MAPTHPGDNPSR1
SCHEMBL3403717 0.81 GPBAR1 (0.38) MAPTNPC1RAB9ADYRK1A
SCHEMBL3406370 0.81 MAPT (0.37) MAPTNPC1RAB9AKDM4ECA1

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 TP53 2618/4885ALDH1A1 146/4885MAPT 3030/4885

“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.