SCHEMBL2867273

SCHEMBL2867273

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MITF O75030 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOB P27338 1/20 0.36
ALOX5 P09917 3/20 0.36
EPHX2 P34913 3/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LDHA P00338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2864055 0.89 EPHX2 (0.38) NPC1RAB9AMITFPOLBAPEX1
SCHEMBL2866976 0.87 MAOB (0.39) QPCTNPC1RAB9AMITFPOLB
SCHEMBL2859503 0.83 ALDH1A1 (0.41) QPCTNPC1RAB9AMITFPOLB
SCHEMBL2860862 0.83 LTB4R (0.36) NPC1RAB9AMITFPOLBAPEX1
SCHEMBL2868488 0.83 QPCT (0.35) QPCTMAOBALOX5EPHX2
SCHEMBL3405077 0.82 MAPK1 (0.34) QPCTPOLBALOX5ITGB3ITGA2B
SCHEMBL3405108 0.80 ATM (0.38) POLBTDP1EPHX2ALDH1A1KDM4E
SCHEMBL2869509 0.79 MLYCD (0.37) NPC1RAB9AMITFPOLBAPEX1
SCHEMBL2862187 0.79 PDE2A (0.32) NPC1RAB9AMITFPOLBAPEX1
SCHEMBL2865945 0.77 EPHX2 (0.46) NPC1RAB9AEPHX2HTT

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 QPCT 885/4885NPC1 833/4885RAB9A 2100/4885

“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.