SCHEMBL3403750

SCHEMBL3403750

O=C(O)CCCCCC(=O)N(CCCCC(=O)O)c1ccc2nc(S)sc2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 3/20 0.32
MAPK1 P28482 2/20 0.32
MITF O75030 2/20 0.32
LMNA P02545 2/20 0.32
IDE P14735 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4A O75164 3/20 0.32
KDM4C Q9H3R0 3/20 0.32
ALOX15 P16050 1/20 0.32
KDM5A P29375 1/20 0.32
PHF8 Q9UPP1 1/20 0.32

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
SCHEMBL3409438 0.90 TDP1 (0.33) MAPTSMN1; SMN2HTTMITFLMNA
SCHEMBL3409564 0.87 MLYCD (0.35) PDE2APDE3BPDE3AP2RY12LTB4R
SCHEMBL3404926 0.87 TBXAS1 (0.32) MAPTTBXAS1PDE2APDE3BPDE3A
SCHEMBL3409442 0.87 KDM4C (0.33) LMNATDP1KDM4AKDM4CPHF8
SCHEMBL3406300 0.86 PDE3B (0.34) PDE2APDE3BPDE3AP2RY12LTB4R
SCHEMBL3404890 0.86 MAPK1 (0.37) MAPK1LMNAPOLBALDH1A1
SCHEMBL3409159 0.85 MAOB (0.35) MAPTSMN1; SMN2HTTMITFLMNA
SCHEMBL3405883 0.84 CYP1A2 (0.36) NPC1ALDH1A1
SCHEMBL3403090 0.83 TMPRSS15 (0.33) ALDH1A1
SCHEMBL3403741 0.82 LDHA (0.32) SMN1; SMN2HTTMITFLMNANPC1

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 MAPT 3030/4885SMN1; SMN2 3627/4885HTT 4741/4885

“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.