SCHEMBL920942

SCHEMBL920942

COCc1ccc(C(=O)NCc2ccc(Oc3sccc3C)cc2)c(N)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 5/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ GPR142 Q7Z601 1/20 0.36

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
SCHEMBL919661 0.90 HPGD (0.38) CHRM4FLT1LRRK2ALDH1A1HPGD
SCHEMBL920723 0.87 ADORA2A (0.43) CHRM4FLT1LRRK2ALDH1A1HPGD
SCHEMBL922079 0.86 MAPK14 (0.50) CHRM4FLT1LRRK2ALDH1A1HPGD
SCHEMBL919314 0.85 PTGER4 (0.40) CHRM4FLT1LRRK2ALDH1A1HPGD
SCHEMBL922841 0.85 EGLN1 (0.49) CHRM4FLT1LRRK2ALDH1A1HPGD
SCHEMBL919997 0.84 MAPK14 (0.50) ALDH1A1HPGDEGLN1KLKB1KDM4E
SCHEMBL920018 0.84 TP53 (0.41) CHRM4FLT1LRRK2ALDH1A1HPGD
SCHEMBL922574 0.84 KLKB1 (0.41) CHRM4FLT1LRRK2ALDH1A1HPGD
SCHEMBL920038 0.83 MAPK14 (0.53) ALDH1A1HPGDEGLN1KDM4EPOLB
SCHEMBL920779 0.83 LIPG (0.51) CYP3A4POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 — — US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 — — EP 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 CHRM4 4158/4885FLT1 2863/4885LRRK2 994/4885

“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.

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