SCHEMBL3609539

SCHEMBL3609539

O=C(O)CC1(Oc2ccc3ncc(Br)cc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
F2 P00734 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
PDE10A Q9Y233 2/20 0.35
PDE3B Q13370 5/20 0.34
PDE3A Q14432 5/20 0.34
PDE2A O00408 4/20 0.34
P2RY12 Q9H244 4/20 0.34
MALT1 Q9UDY8 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALPL P05186 1/20 0.32
PTPN7 P35236 1/20 0.31
ABL1 P00519 1/20 0.31
MET P08581 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
TSHR P16473 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
SCHEMBL3609542 0.76 ALDH1A1 (0.46) ALDH1A1F2GLAHPGDPDE3B
SCHEMBL1978302 0.75 MAPK1 (0.43) ALDH1A1KDM4E
SCHEMBL25225047 0.74 ALDH1A1 (0.35) ALDH1A1F2GLAHPGDMALT1
SCHEMBL31052279 0.74 ALDH1A1 (0.35) ALDH1A1F2GLAHPGDMALT1
SCHEMBL31052271 0.74 ALDH1A1 (0.35) ALDH1A1F2GLAHPGDMALT1
SCHEMBL3613071 0.73 PDE3B (0.43) ALDH1A1F2GLAHPGDPDE10A
SCHEMBL25273115 0.73 ABL1 (0.36) ALDH1A1F2GLAHPGDMALT1
SCHEMBL27932593 0.73 KMT2A (0.49) ALDH1A1F2GLAHPGDKDM4E
SCHEMBL534740 0.72 ALDH1A1 (0.39) ALDH1A1F2GLAHPGDPDE10A
SCHEMBL25724501 0.71 ALDH1A1 (0.43) ALDH1A1F2GLAHPGDMALT1

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 ALDH1A1 350/4885F2 4394/4885GLA 2537/4885

“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.