SCHEMBL3407264

SCHEMBL3407264

CN(C(=O)Nc1ccc(CC#N)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 3/20 0.35
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
NPSR1 Q6W5P4 3/20 0.33
RECQL P46063 2/20 0.33
GAA P10253 1/20 0.33
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
FGFR4 P22455 1/20 0.32
POLB P06746 2/20 0.32
MAPK1 P28482 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
SCHEMBL3406691 0.88 KMT2A (0.37) KMT2ASMN1; SMN2MEN1ALDH1A1NPC1
SCHEMBL3405770 0.87 KMT2A (0.37) KMT2ASMN1; SMN2MEN1ALDH1A1NPC1
SCHEMBL3405278 0.86 SMN1; SMN2 (0.36) KMT2ASMN1; SMN2MEN1ALDH1A1NPC1
SCHEMBL3408068 0.86 LMNA (0.37) KMT2ASMN1; SMN2MEN1ALDH1A1NPC1
SCHEMBL6929249 0.86 KMT2A (0.36) KMT2ASMN1; SMN2MEN1ALDH1A1NPC1
SCHEMBL3410353 0.85 KMT2A (0.35) KMT2ASMN1; SMN2MEN1ALDH1A1NPC1
SCHEMBL3410435 0.82 NPC1 (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1NPC1
SCHEMBL3403079 0.82 KMT2A (0.36) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3405799 0.82 MAPT (0.38) KMT2ASMN1; SMN2MEN1ALDH1A1NPC1
SCHEMBL3406660 0.81 KMT2A (0.34) KMT2ASMN1; SMN2MEN1ALDH1A1NPC1

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 KMT2A 1536/4885SMN1; SMN2 3627/4885MEN1 669/4885

“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.