SCHEMBL3403873

SCHEMBL3403873

O=C(O)CCCCN(C(=O)c1ccc(C(=O)O)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
UBE2N P61088 2/20 0.33
NPC1 O15118 2/20 0.33
RAD52 P43351 3/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
TMPRSS15 P98073 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
APEX1 P27695 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3405883 0.91 CYP1A2 (0.36) MEN1KMT2AUBE2NNPC1ALDH1A1
SCHEMBL3404511 0.89 S1PR1 (0.39) MEN1KMT2A
SCHEMBL3401788 0.89 MEN1 (0.36) MEN1KMT2AUBE2NNPC1RAB9A
SCHEMBL3404000 0.88 CA2 (0.39) MEN1KMT2AUBE2NNPC1RAD52
SCHEMBL3403831 0.87 NPC1 (0.34) MEN1KMT2AUBE2NNPC1
SCHEMBL3406497 0.87 LDHA (0.34) NPC1RAB9APOLBAPEX1SMN1; SMN2
SCHEMBL3403750 0.84 MAPT (0.32) NPC1RAB9APOLBALDH1A1HTT
SCHEMBL3402021 0.84 MEN1 (0.31) MEN1KMT2AUBE2NNPC1
SCHEMBL3407897 0.84 TMPRSS15 (0.31) MEN1KMT2ATMPRSS15
SCHEMBL3408418 0.83 MAPK14 (0.36) MEN1KMT2AUBE2NNPC1RAB9A

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 MEN1 669/4885KMT2A 1536/4885UBE2N 4024/4885

“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.