SCHEMBL3617630

SCHEMBL3617630

COCC(C)(C#N)NC(=O)C(Oc1ccc2ncc(Br)cc2c1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.33
ALDH1A1 P00352 1/20 0.32
F2 P00734 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CNR2 P34972 1/20 0.32
ABL1 P00519 3/20 0.32
ANO1 Q5XXA6 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SCN9A Q15858 1/20 0.31
MALT1 Q9UDY8 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
SCHEMBL3604542 0.88 ALDH1A1 (0.35) HPGDSALDH1A1F2GLAHPGD
SCHEMBL3617930 0.86 ALDH1A1 (0.34) HPGDSALDH1A1F2GLAHPGD
SCHEMBL3621354 0.86 ALDH1A1 (0.34) HPGDSALDH1A1F2GLAHPGD
SCHEMBL3619979 0.85 HSD17B10 (0.35) HPGDSALDH1A1F2GLAHPGD
SCHEMBL3618996 0.84 HPGDS (0.39) HPGDSALDH1A1F2GLAHPGD
SCHEMBL3613305 0.84 ALDH1A1 (0.33) HPGDSALDH1A1F2GLAHPGD
SCHEMBL14763113 0.76 ALDH1A1 (0.42) HPGDSALDH1A1F2GLAHPGD
SCHEMBL6171280 0.76 ALDH1A1 (0.33) HPGDSALDH1A1F2GLAHPGD
SCHEMBL533577 0.75 SCN9A (0.34) ALDH1A1F2GLAHPGDSCN9A
SCHEMBL14763154 0.75 ALDH1A1 (0.41) HPGDSALDH1A1F2GLAHPGD

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 HPGDS 4855/4885ALDH1A1 350/4885F2 4394/4885

“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.