SCHEMBL3613071

SCHEMBL3613071

O=C(O)COCOc1ccc2ncc(Br)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.43
PDE3A Q14432 5/20 0.43
PDE2A O00408 4/20 0.43
P2RY12 Q9H244 4/20 0.43
PTPN7 P35236 1/20 0.42
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 1/20 0.40
F2 P00734 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CTRC Q99895 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACACA Q13085 1/20 0.36
MIF P14174 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL3616022 0.86 PDE3B (0.45) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL2872336 0.82 PDE3B (0.42) PDE3BPDE3APDE2AP2RY12PTPN7
SCHEMBL3614403 0.80 ALDH1A1 (0.50) PDE3BPDE3AP2RY12PDE10AALDH1A1
SCHEMBL3615706 0.79 PTPN7 (0.33) PTPN7CTRCPTGDR2NPC1RAB9A
SCHEMBL534740 0.78 ALDH1A1 (0.39) PDE3BPDE3APDE2AP2RY12PTPN7
SCHEMBL27273958 0.78 PTGDR2 (0.48) PDE3BPDE3APDE2AP2RY12PTPN7
SCHEMBL20869368 0.77 PDGFRB (0.46) PDE10AALDH1A1F2GLAHPGD
SCHEMBL3611213 0.77 ALDH1A1 (0.47) PDE3BPDE3APDE2AP2RY12PDE10A
SCHEMBL31716011 0.74 PDE3B (0.47) PDE3BPDE3AALDH1A1HPGDMEN1
SCHEMBL26681624 0.74 PDE3B (0.47) PDE3BPDE3AALDH1A1HPGDMEN1

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
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
EP-2139324-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngeta Participations AG (CH) 2010-01-06 EP disclosed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed

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-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 PDE3B 471/4885PDE3A 468/4885PDE2A 443/4885

“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.