SCHEMBL3404900

SCHEMBL3404900

O=C(OCCCCCc1nnn[nH]1)N(CCCCc1nn[nH]n1)c1ccc2nc(S)sc2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
P2RY12 Q9H244 2/20 0.34
MLYCD O95822 1/20 0.32
LTB4R Q15722 2/20 0.31
CYSLTR2 Q9NS75 3/20 0.31
CYSLTR1 Q9Y271 3/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX5 P09917 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
CYP4F2 P78329 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
SCHEMBL3407491 0.88 PDE3B (0.35) PDE3BPDE3AP2RY12MLYCDLTB4R
SCHEMBL3404528 0.88 MLYCD (0.33) PDE3BPDE3AP2RY12MLYCD
SCHEMBL3403737 0.88 PDE2A (0.30) PDE3BPDE3AP2RY12
SCHEMBL2856847 0.86 PDE3B (0.35) PDE3BPDE3AP2RY12MLYCDLTB4R
SCHEMBL3410897 0.86 EPHX2 (0.34) PDE3BPDE3AP2RY12MLYCDCYP3A4
SCHEMBL3405071 0.85
SCHEMBL3406364 0.83
SCHEMBL3405151 0.82
SCHEMBL3402147 0.81 MLYCD (0.39) PDE3BPDE3AP2RY12MLYCDLTB4R
SCHEMBL3405130 0.80

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 PDE3B 1953/4885PDE3A 2151/4885P2RY12 4835/4885

“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.