SCHEMBL3406691

SCHEMBL3406691

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX2 P34913 2/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6929249 0.92 KMT2A (0.36) KMT2ANPC1RAB9ATHRBMEN1
SCHEMBL3410353 0.90 KMT2A (0.35) KMT2ANPC1RAB9ATHRBMEN1
SCHEMBL3407264 0.88 KMT2A (0.39) KMT2ANPC1RAB9ATHRBMEN1
SCHEMBL3410575 0.88 POLB (0.37) KMT2ARAB9ATHRBMEN1SMN1; SMN2
SCHEMBL3405770 0.85 KMT2A (0.37) KMT2ANPC1RAB9ATHRBMEN1
SCHEMBL3406660 0.85 KMT2A (0.34) KMT2ANPC1MEN1SMN1; SMN2ALDH1A1
SCHEMBL3407755 0.85 GPR119 (0.34) KMT2ANPC1MEN1SMN1; SMN2ALDH1A1
SCHEMBL3405732 0.84 KMT2A (0.39) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL3407695 0.83 KMT2A (0.38) KMT2ARAB9AMEN1SMN1; SMN2EPHX2
SCHEMBL3404273 0.82 KMT2A (0.35) KMT2AMEN1

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 1536/4885NPC1 833/4885RAB9A 2100/4885

“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.