SCHEMBL3615835

SCHEMBL3615835

CCOC(Oc1ccc2ncc(Br)cc2c1)C(=O)NC(C)(C)COC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
F2 P00734 1/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGDS O60760 2/20 0.33
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
SLC2A1 P11166 1/20 0.31
ALPL P05186 2/20 0.31
AAK1 Q2M2I8 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 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
SCHEMBL3616459 0.92 ALDH1A1 (0.37) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL3602400 0.89 HPGDS (0.38) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL3613305 0.88 ALDH1A1 (0.33) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL3605351 0.87 MAPT (0.37) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL3604542 0.83 ALDH1A1 (0.35) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL3616287 0.80 HPGDS (0.41) ALDH1A1HPGDF2GLALMNA
SCHEMBL3621354 0.80 ALDH1A1 (0.34) ALDH1A1HPGDF2GLAMALT1
SCHEMBL3621503 0.80 ALDH1A1 (0.41) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL14773038 0.79 ALDH1A1 (0.37) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL2862704 0.78 ALDH1A1 (0.35) ALDH1A1HPGDF2GLAHPGDS

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 350/4885HPGD 3828/4885F2 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.