SCHEMBL3604542

SCHEMBL3604542

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
F2 P00734 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HPGDS O60760 8/20 0.35
ABL1 P00519 5/20 0.34
MALT1 Q9UDY8 1/20 0.32
LIPC P11150 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALPL P05186 1/20 0.31
ACACB O00763 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
SCHEMBL3617630 0.88 HPGDS (0.33) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3618996 0.88 HPGDS (0.39) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3616459 0.84 ALDH1A1 (0.37) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3605351 0.83 MAPT (0.37) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3615835 0.83 ALDH1A1 (0.36) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3609547 0.78 ALDH1A1 (0.39) ALDH1A1F2GLAHPGDABL1
SCHEMBL6171280 0.73 ALDH1A1 (0.33) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3617930 0.73 ALDH1A1 (0.34) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3621354 0.73 ALDH1A1 (0.34) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL534860 0.73 SCN9A (0.37) ALDH1A1F2GLAHPGDHPGDS

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.