SCHEMBL3609547

SCHEMBL3609547

O=C(O)C(Oc1ccc2ncc(Br)cc2c1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ABL1 P00519 5/20 0.36
LDHA P00338 1/20 0.34
MET P08581 3/20 0.33
AURKA O14965 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
IGF1R P08069 1/20 0.33
KIT P10721 1/20 0.33
FGFR2 P21802 1/20 0.33
EPHA2 P29317 1/20 0.33
LTK P29376 1/20 0.33
AXL P30530 1/20 0.33
FLT3 P36888 1/20 0.33
MST1R Q04912 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL3618996 0.83 HPGDS (0.39) ALDH1A1F2GLAHPGDABL1
SCHEMBL3604542 0.78 ALDH1A1 (0.35) ALDH1A1F2GLAHPGDABL1
SCHEMBL3615306 0.78 ALDH1A1 (0.44) ALDH1A1F2GLAHPGDABL1
SCHEMBL3613074 0.77 ALDH1A1 (0.46) ALDH1A1F2GLAHPGDABL1
SCHEMBL534741 0.77 ALDH1A1 (0.43) ALDH1A1F2GLAHPGDABL1
SCHEMBL23247889 0.77 PDE3B (0.46) ALDH1A1F2GLAHPGDABL1
SCHEMBL18331443 0.76 LDHA (0.58) ALDH1A1LDHAPPARGPPARA
SCHEMBL21057158 0.76 LDHA (0.58) ALDH1A1LDHAPPARGPPARA
SCHEMBL3607774 0.76 SMN1; SMN2 (0.51) ALDH1A1F2GLAHPGDMET
SCHEMBL3621503 0.75 ALDH1A1 (0.41) ALDH1A1F2GLAHPGDMET

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.