SCHEMBL3403628

SCHEMBL3403628

O=C(O)CCCCN(C(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.35
AGTR1 P30556 3/20 0.34
AGTR2 P50052 2/20 0.34
HSD17B10 Q99714 1/20 0.33
GSTM2 P28161 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
TMPRSS15 P98073 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
PTGER4 P35408 1/20 0.31
ADH5 P11766 1/20 0.31
LMNA P02545 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
LTB4R2 Q9NPC1 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
SCHEMBL3403239 0.89 MLYCD (0.35) XDHAGTR1AGTR2HSD17B10PTGER4
SCHEMBL3406379 0.88 HSD17B10 (0.37) XDHHSD17B10HDAC3HDAC1
SCHEMBL3405763 0.88 TMPRSS15 (0.37) XDHPPARGPPARDPPARATMPRSS15
SCHEMBL3409512 0.85 XDH (0.41) XDHPTGER4ADH5LMNAEPHX2
SCHEMBL3403873 0.85 MEN1 (0.34) TMPRSS15LMNA
SCHEMBL3403116 0.83 XDH (0.39) XDHAGTR1AGTR2PTGER4ADH5
SCHEMBL3405883 0.82 CYP1A2 (0.36)
SCHEMBL3403346 0.81 MLYCD (0.36) AGTR1AGTR2
SCHEMBL3401788 0.81 MEN1 (0.36)
SCHEMBL3404511 0.81 S1PR1 (0.39) EPHX2

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 XDH 550/4885AGTR1 293/4885AGTR2 540/4885

“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.