SCHEMBL2866976

SCHEMBL2866976

CC(C)N(C(=O)NCCCCCC(=O)O)c1ccc2nc(S)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
QPCT Q16769 1/20 0.37
LDHA P00338 1/20 0.37
MAPT P10636 1/20 0.37
ALOX5 P09917 4/20 0.37
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2867273 0.87 QPCT (0.39) MAOBRAB9ANPC1MITFPOLB
SCHEMBL2864055 0.85 EPHX2 (0.38) MAOBRAB9ANPC1MITFPOLB
SCHEMBL2866033 0.82 NPC1 (0.36) RAB9ANPC1MITFPOLBAPEX1
SCHEMBL2867143 0.82 MAOB (0.35) MAOBRAB9ANPC1QPCTMAPT
SCHEMBL3403629 0.81 MAPK1 (0.36) MAOBPOLBALOX5ITGB3ITGA2B
SCHEMBL1379234 0.81 NPC1 (0.34) RAB9ANPC1MITFPOLBAPEX1
SCHEMBL1379232 0.81 NPC1 (0.34) RAB9ANPC1MITFPOLBAPEX1
SCHEMBL2859503 0.79 ALDH1A1 (0.41) MAOBRAB9ANPC1MITFPOLB
SCHEMBL3410310 0.78 MAPT (0.41) RAB9ANPC1LDHAMAPTSMN1; SMN2
SCHEMBL2870138 0.75 MAPT (0.51) RAB9ANPC1LDHAMAPTKDM4E

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 5 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-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US 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 MAOB 1307/4885RAB9A 2100/4885NPC1 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.