SCHEMBL3401788

SCHEMBL3401788

N#Cc1ccc(C(=O)N(CCCCC(=O)O)c2ccc3nc(S)sc3n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 3/20 0.36
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.32
ITK Q08881 2/20 0.32
UBE2N P61088 1/20 0.31
MLYCD O95822 2/20 0.31
TXK P42681 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MMP2 P08253 1/20 0.30
RAB9A P51151 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
SCHEMBL3403873 0.89 MEN1 (0.34) MEN1KMT2ANPC1UBE2NSMN1; SMN2
SCHEMBL3403831 0.89 NPC1 (0.34) MEN1KMT2ANPC1UBE2N
SCHEMBL3405883 0.86 CYP1A2 (0.36) MEN1KMT2ANPC1UBE2NMLYCD
SCHEMBL3405727 0.86 MMP2 (0.35) MAPTMMP2
SCHEMBL3405793 0.86 POLB (0.36) MEN1KMT2AMAPTRAB9A
SCHEMBL3404511 0.85 S1PR1 (0.39) MEN1KMT2AMLYCD
SCHEMBL3405142 0.84 MLYCD (0.43) MEN1KMT2ANPC1TP53L3MBTL1
SCHEMBL3404000 0.84 CA2 (0.39) MEN1KMT2ANPC1UBE2NRAB9A
SCHEMBL3407428 0.82 MLYCD (0.34) MEN1KMT2ANPC1TP53L3MBTL1
SCHEMBL3407594 0.81 TP53 (0.37) MEN1KMT2ANPC1TP53L3MBTL1

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 1536/4885NPC1 833/4885

“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.