SCHEMBL3410280

SCHEMBL3410280

CN(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
GPR35 Q9HC97 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ITK Q08881 1/20 0.36
PTGER4 P35408 1/20 0.35
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
MAP3K8 P41279 1/20 0.34
MAP2K1 Q02750 1/20 0.34
ADH5 P11766 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL3403841 0.88 XDH (0.39) XDHGPR35ALDH1A1TP53LMNA
SCHEMBL3407983 0.88 TP53 (0.40) XDHGPR35ALDH1A1TP53LMNA
SCHEMBL3403615 0.86 XDH (0.43) XDHGPR35TP53LMNAPTGER4
SCHEMBL3409617 0.86 MCL1 (0.41) XDHGPR35ALDH1A1TP53LMNA
SCHEMBL3404028 0.83 XDH (0.42) XDHGPR35PTGER4
SCHEMBL3405763 0.82 TMPRSS15 (0.37) XDHGPR35ALDH1A1TP53LMNA
SCHEMBL3406289 0.81 PDE3B (0.37) XDHALDH1A1TP53LMNACYP19A1
SCHEMBL3404381 0.80 LMNA (0.42) ALDH1A1LMNAL3MBTL1
SCHEMBL3405830 0.79 RAB9A (0.36) LMNACYP2C9CYP2C19
SCHEMBL3406375 0.78 MAPT (0.37) TP53LMNAITK

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 1053/4885ALDH1A1 146/4885

“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.