SCHEMBL2863990

SCHEMBL2863990

O=C(NCCCCCc1nnn[nH]1)N(CCCCc1nn[nH]n1)c1ccc2nc(S)sc2c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.35
EPHX2 P34913 5/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
P2RY12 Q9H244 2/20 0.32

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
SCHEMBL2862187 0.88 PDE2A (0.32) EPHX2PDE3BPDE3AP2RY12
SCHEMBL2869509 0.88 MLYCD (0.37) MLYCDEPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL3410897 0.86 EPHX2 (0.34) MLYCDEPHX2CYP3A4CYP2D6CYP2C9
SCHEMBL2856847 0.86 PDE3B (0.35) MLYCDCYP3A4PDE3BPDE3AP2RY12
SCHEMBL2868488 0.84 QPCT (0.35) EPHX2
SCHEMBL2861338 0.83 QPCT (0.37)
SCHEMBL3409802 0.82 MLYCD (0.43) MLYCDEPHX2PDE3BPDE3AP2RY12
SCHEMBL2867143 0.81 MAOB (0.35)
SCHEMBL2861075 0.79 EPHX2 (0.41) MLYCDEPHX2PDE3BPDE3AP2RY12
SCHEMBL2865664 0.78 EPHX2 (0.42) MLYCDEPHX2

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 3 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

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 MLYCD 4/4885EPHX2 1552/4885CYP3A4 352/4885

“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.