SCHEMBL3408907

SCHEMBL3408907

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.41
IDO1 P14902 3/20 0.41
GPR35 Q9HC97 1/20 0.39
NR1I2 O75469 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
MCL1 Q07820 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
SLC22A12 Q96S37 2/20 0.36
LTA4H P09960 1/20 0.35
CCKBR P32239 2/20 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
SCHEMBL3408357 0.90 XDH (0.43) XDHGPR35HSD17B10LDHALDHB
SCHEMBL3403116 0.88 XDH (0.39) XDHGPR35MCL1
SCHEMBL3404995 0.87 XDH (0.43) XDHIDO1GPR35HSD17B10LDHA
SCHEMBL3404028 0.86 XDH (0.42) XDHIDO1GPR35HSD17B10LDHA
SCHEMBL3409617 0.84 MCL1 (0.41) XDHGPR35CYP2C9CYP2C19MCL1
SCHEMBL3406379 0.84 HSD17B10 (0.37) XDHGPR35HSD17B10LDHALDHB
SCHEMBL2859794 0.84 IDO1 (0.42) XDHIDO1GPR35NR1I2CYP1A2
SCHEMBL3404213 0.84 MAPT (0.35)
SCHEMBL3410531 0.83 HSD17B10 (0.37) XDHGPR35HSD17B10LDHALDHB
SCHEMBL3403300 0.81 MAPT (0.35)

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 550/4885IDO1 546/4885GPR35 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.