SCHEMBL2859503

SCHEMBL2859503

O=C(O)CCCCCNC(=O)N(Cc1ccncc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
QPCT Q16769 11/20 0.41
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
QPCTL Q9NXS2 1/20 0.34
MITF O75030 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LATS1 O95835 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
MAOB P27338 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 0.88 EPHX2 (0.38) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL2862871 0.84 HDAC1 (0.36) ALDH1A1NPC1RAB9AMITFPOLB
SCHEMBL2867273 0.83 QPCT (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19QPCT
SCHEMBL2861338 0.83 QPCT (0.37) QPCTNPC1RAB9AQPCTL
SCHEMBL3409152 0.83 LMNA (0.39) NPC1RAB9APOLB
SCHEMBL2864054 0.81 MAPT (0.44)
SCHEMBL2862324 0.79 EPHX2 (0.46) NPC1RAB9AMITFPOLBAPEX1
SCHEMBL2866976 0.79 MAOB (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19QPCT
SCHEMBL2863564 0.78 EPHX2 (0.42) NPC1RAB9A
SCHEMBL2869509 0.77 MLYCD (0.37) CYP2C9CYP2C19NPC1RAB9AMC4R

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 ALDH1A1 146/4885CYP1A2 236/4885CYP2C9 214/4885

“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.