SCHEMBL2865990

SCHEMBL2865990

O=C(Oc1ccncc1)N(Cc1ccncc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
WNT3A P56704 2/20 0.37
LMNA P02545 4/20 0.37
TP53 P04637 5/20 0.36
POLB P06746 1/20 0.36
CA2 P00918 2/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL2866776 0.93 CA2 (0.40) MAPTWNT3ALMNATP53CA2
SCHEMBL2860683 0.91 MAPT (0.44) MAPTWNT3ALMNATP53
SCHEMBL2867433 0.91 SCN9A (0.41) MAPTWNT3ALMNACYP3A4
SCHEMBL2863708 0.90 KMT2A (0.37) MAPTWNT3ALMNATP53POLB
SCHEMBL2868498 0.90 CA2 (0.43) CA2
SCHEMBL3409152 0.88 LMNA (0.39) MAPTWNT3ALMNATP53POLB
SCHEMBL2859562 0.87 MAPT (0.34) MAPTWNT3ALMNATP53POLB
SCHEMBL2867655 0.87 WNT3A (0.36) MAPTWNT3ALMNATP53POLB
SCHEMBL2856702 0.86 PTGDR2 (0.41) WNT3A
SCHEMBL2866853 0.85 MAPT (0.36) MAPTWNT3ACA2CYP3A4NPC1

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 5 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-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US 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 MAPT 3030/4885WNT3A 4665/4885LMNA 4406/4885

“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.