SCHEMBL3605351

SCHEMBL3605351

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.37
F2 P00734 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 2/20 0.34
HPGDS O60760 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 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
SCHEMBL154893 0.89 ALDH1A1 (0.39) MAPTPOLBALDH1A1F2GLA
SCHEMBL29814914 0.89 ALDH1A1 (0.39) MAPTPOLBALDH1A1F2GLA
SCHEMBL3619979 0.88 HSD17B10 (0.35) MAPTPOLBALDH1A1F2GLA
SCHEMBL3615835 0.87 ALDH1A1 (0.36) MAPTPOLBALDH1A1F2GLA
SCHEMBL3616459 0.87 ALDH1A1 (0.37) POLBALDH1A1F2GLAHPGD
SCHEMBL2221580 0.86 ALDH1A1 (0.37) MAPTPOLBALDH1A1F2GLA
SCHEMBL4949107 0.86 ALDH1A1 (0.36) MAPTPOLBALDH1A1F2GLA
SCHEMBL3669425 0.85 SMN1; SMN2 (0.42) MAPTPOLBALDH1A1F2GLA
SCHEMBL3620703 0.84 AAK1 (0.34) ALDH1A1SMN1; SMN2LMNANPSR1HTT
SCHEMBL2222286 0.84 LMNA (0.40) SMN1; SMN2LMNATSHRMEN1KMT2A

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 1 patent. 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

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 MAPT 3609/4885POLB 4679/4885ALDH1A1 350/4885

“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.