SCHEMBL3404028

SCHEMBL3404028

CN(C(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.42
GPR35 Q9HC97 1/20 0.42
HSD17B10 Q99714 1/20 0.40
SLC22A12 Q96S37 2/20 0.39
IDO1 P14902 1/20 0.39
LTA4H P09960 1/20 0.38
LDHA P00338 2/20 0.37
LDHB P07195 2/20 0.37
MAPT P10636 1/20 0.36
PTGER4 P35408 1/20 0.35

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
SCHEMBL3403615 0.88 XDH (0.43) XDHGPR35HSD17B10PTGER4
SCHEMBL3408357 0.88 XDH (0.43) XDHGPR35HSD17B10SLC22A12LTA4H
SCHEMBL3404995 0.88 XDH (0.43) XDHGPR35HSD17B10SLC22A12IDO1
SCHEMBL3408907 0.86 XDH (0.41) XDHGPR35HSD17B10SLC22A12IDO1
SCHEMBL3410280 0.83 XDH (0.39) XDHGPR35PTGER4
SCHEMBL3406379 0.82 HSD17B10 (0.37) XDHGPR35HSD17B10SLC22A12LTA4H
SCHEMBL3410435 0.81 NPC1 (0.42) HSD17B10MAPT
SCHEMBL3410531 0.81 HSD17B10 (0.37) XDHGPR35HSD17B10SLC22A12LTA4H
SCHEMBL3405799 0.79 MAPT (0.38) MAPT
SCHEMBL3408068 0.78 LMNA (0.37) MAPT

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 550/4885GPR35 1053/4885HSD17B10 58/4885

“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.