SCHEMBL3403239

SCHEMBL3403239

O=C(c1ccc(-c2nn[nH]n2)cc1)N(CCCCc1nn[nH]n1)c1ccc2nc(S)sc2n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.35
XDH P47989 2/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
P2RY12 Q9H244 2/20 0.33
HSD17B10 Q99714 1/20 0.32
PTGER4 P35408 2/20 0.31
ADH5 P11766 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GRM2 Q14416 1/20 0.30
LMNA P02545 1/20 0.30
EPHX2 P34913 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL3403346 0.91 MLYCD (0.36) MLYCDAGTR1AGTR2PDE3BPDE3A
SCHEMBL3406275 0.90 MLYCD (0.36) MLYCDPDE3BPDE3AP2RY12L3MBTL1
SCHEMBL3403628 0.89 XDH (0.35) XDHAGTR1AGTR2HSD17B10PTGER4
SCHEMBL3406289 0.88 PDE3B (0.37) MLYCDXDHPDE3BPDE3AP2RY12
SCHEMBL3410531 0.88 HSD17B10 (0.37) MLYCDXDHPDE3BPDE3AP2RY12
SCHEMBL3406656 0.88 MLYCD (0.43) MLYCD
SCHEMBL3407428 0.88 MLYCD (0.34) MLYCDPDE3BPDE3AP2RY12L3MBTL1
SCHEMBL3406518 0.87 POLB (0.34) MLYCDPDE3BPDE3AP2RY12
SCHEMBL3404470 0.87 PDE3B (0.32) MLYCDAGTR1AGTR2PDE3BPDE3A
SCHEMBL3406261 0.87 MLYCD (0.33) MLYCDAGTR1AGTR2PDE3BPDE3A

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 MLYCD 4/4885XDH 550/4885AGTR1 293/4885

“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.