SCHEMBL3408237

SCHEMBL3408237

O=C(Nc1ccc(-c2cc(O)no2)cc1)N(CCCCc1nn[nH]n1)c1ccc2nc(S)sc2n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
P2RY12 Q9H244 2/20 0.32
HSD17B10 Q99714 1/20 0.31
MLYCD O95822 1/20 0.31

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
SCHEMBL3404470 0.89 PDE3B (0.32) PDE3BPDE3AP2RY12MLYCD
SCHEMBL2865571 0.88 EPHX2 (0.39) FBP1PDE3BPDE3AP2RY12HSD17B10
SCHEMBL3410531 0.87 HSD17B10 (0.37) PDE3BPDE3AP2RY12HSD17B10MLYCD
SCHEMBL3406728 0.87 PDE3B (0.35) PDE3BPDE3AP2RY12MLYCD
SCHEMBL3405824 0.85 MLYCD (0.34) PDE3BPDE3AP2RY12MLYCD
SCHEMBL3408842 0.85 HDAC3 (0.33)
SCHEMBL3409022 0.85 MLYCD (0.35) PDE3BPDE3AP2RY12MLYCD
SCHEMBL3402046 0.83 MLYCD (0.33) FBP1PDE3BPDE3AP2RY12MLYCD
SCHEMBL3406478 0.83 MLYCD (0.41) MLYCD
SCHEMBL3403716 0.82 MLYCD (0.32) PDE3BPDE3AP2RY12MLYCD

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 FBP1 128/4885PDE3B 1953/4885PDE3A 2151/4885

“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.