SCHEMBL3405070

SCHEMBL3405070

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
NSD2 O96028 1/20 0.33
DYRK1A Q13627 1/20 0.32
GSK3B P49841 1/20 0.32
PDK2 Q15119 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 1/20 0.31
RAB9A P51151 1/20 0.31
GRM1 Q13255 1/20 0.30

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
SCHEMBL3403704 0.86 MLYCD (0.34) MAPTTP53ALDH1A1HPGDNPSR1
SCHEMBL3403373 0.86 KMT2A (0.32) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3406797 0.85 TP53 (0.43) MAPTTP53ALDH1A1HPGDNPSR1
SCHEMBL3403914 0.84 MAPT (0.38) MAPTALDH1A1DYRK1AMEN1KMT2A
SCHEMBL3404963 0.84 MAPT (0.35) MAPTTP53GSK3BCA2
SCHEMBL3407594 0.84 TP53 (0.37) MAPTTP53ALDH1A1HPGDNPSR1
SCHEMBL3401870 0.84 LMNA (0.34) ALDH1A1HPGDKMT2ASMN1; SMN2RAB9A
SCHEMBL3406523 0.83 HDAC8 (0.39) DYRK1AGSK3BGRM1
SCHEMBL3405142 0.83 MLYCD (0.43) MAPTTP53ALDH1A1HPGDNPSR1
SCHEMBL3406734 0.83 CA2 (0.35) MAPTCA1CA2NPC1RAB9A

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 3030/4885TP53 2618/4885ALDH1A1 146/4885

“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.