SCHEMBL3403841

SCHEMBL3403841

CC(C)N(C(=O)Oc1ccc(-c2nn[nH]n2)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.39
MCL1 Q07820 1/20 0.39
GPR35 Q9HC97 1/20 0.36
TP53 P04637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ITK Q08881 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM2 Q14416 3/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 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
SCHEMBL3410280 0.88 XDH (0.39) XDHGPR35TP53ALDH1A1LMNA
SCHEMBL3405185 0.87 XDH (0.41) XDHMCL1GPR35TP53LMNA
SCHEMBL3409617 0.87 MCL1 (0.41) XDHMCL1GPR35TP53ALDH1A1
SCHEMBL3407983 0.85 TP53 (0.40) XDHGPR35TP53ALDH1A1LMNA
SCHEMBL2858377 0.85 ITK (0.41) XDHMCL1GPR35TP53ALDH1A1
SCHEMBL3404995 0.84 XDH (0.43) XDHGPR35TP53NPC1RAB9A
SCHEMBL3407193 0.81 MAPT (0.34) ALDH1A1LMNANPC1RAB9ACYP2C9
SCHEMBL3405643 0.80 CA2 (0.33) RAB9A
SCHEMBL3405763 0.79 TMPRSS15 (0.37) XDHGPR35TP53ALDH1A1LMNA
SCHEMBL3409343 0.79 CA2 (0.41) TP53

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 XDH 550/4885MCL1 1061/4885GPR35 1053/4885

“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.