SCHEMBL3403615

SCHEMBL3403615

CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.43
PTGER4 P35408 1/20 0.39
GPR35 Q9HC97 1/20 0.38
ADH5 P11766 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MAP3K8 P41279 1/20 0.36
MAP2K1 Q02750 1/20 0.36
LMNA P02545 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RPA1 P27694 1/20 0.34
ATM Q13315 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
SCHEMBL3404028 0.88 XDH (0.42) XDHPTGER4GPR35HSD17B10
SCHEMBL3409512 0.87 XDH (0.41) XDHPTGER4GPR35ADH5LMNA
SCHEMBL3405185 0.87 XDH (0.41) XDHPTGER4GPR35ADH5HSD17B10
SCHEMBL3410280 0.86 XDH (0.39) XDHPTGER4GPR35ADH5MAP3K8
SCHEMBL3403116 0.84 XDH (0.39) XDHPTGER4GPR35ADH5LMNA
SCHEMBL3406504 0.81 SMN1; SMN2 (0.39) LMNATP53NPC1RAB9ANPSR1
SCHEMBL3403628 0.80 XDH (0.35) XDHPTGER4ADH5HSD17B10LMNA
SCHEMBL3408357 0.80 XDH (0.43) XDHGPR35HSD17B10TP53
SCHEMBL3404995 0.80 XDH (0.43) XDHGPR35HSD17B10TP53NPC1
SCHEMBL3403239 0.80 MLYCD (0.35) XDHPTGER4ADH5HSD17B10LMNA

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 550/4885PTGER4 4576/4885GPR35 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.