SCHEMBL3406497

SCHEMBL3406497

O=C(O)CCCCN(C(=O)Nc1ccc(C(=O)O)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.34
EPHX2 P34913 8/20 0.32
LTA4H P09960 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MITF O75030 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
NAMPT P43490 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
SCHEMBL3406516 0.89 BCHE (0.38) LDHAEPHX2LTA4HNPC1RAB9A
SCHEMBL3405793 0.88 POLB (0.36) LDHAEPHX2RAB9APOLBHSD17B10
SCHEMBL3401792 0.88 EPHX2 (0.39) EPHX2
SCHEMBL3404471 0.87 CA1 (0.41) NPC1RAB9A
SCHEMBL3403873 0.87 MEN1 (0.34) NPC1RAB9APOLBAPEX1SMN1; SMN2
SCHEMBL3406660 0.86 KMT2A (0.34) LDHAEPHX2NPC1HSD17B10SMN1; SMN2
SCHEMBL3406379 0.85 HSD17B10 (0.37) LDHALTA4HHSD17B10
SCHEMBL3405732 0.85 KMT2A (0.39) EPHX2NPC1RAB9APOLBHSD17B10
SCHEMBL3408842 0.83 HDAC3 (0.33) LDHAEPHX2
SCHEMBL3405824 0.83 MLYCD (0.34)

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 LDHA 494/4885EPHX2 1552/4885LTA4H 3562/4885

“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.