SCHEMBL919549

SCHEMBL919549

CCOc1cccc(Oc2ccc(CNC(=O)c3ccc(C)nc3N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.52
KLK1 P06870 3/20 0.52
POLB P06746 3/20 0.47
RXFP1 Q9HBX9 3/20 0.45
TP53 P04637 2/20 0.45
ROCK1 Q13464 2/20 0.45
HPGD P15428 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK14 Q16539 1/20 0.44
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL923423 0.92 TP53 (0.46) KLKB1KLK1POLBTP53LMNA
SCHEMBL922051 0.92 HDAC1 (0.45) KLKB1KLK1POLBTP53ROCK1
SCHEMBL922072 0.92 POLB (0.54) KLKB1KLK1POLBRXFP1TP53
SCHEMBL920890 0.90 MMP13 (0.52) KLKB1TP53ROCK1HPGDLMNA
SCHEMBL919487 0.89 KLKB1 (0.46) KLKB1KLK1POLBRXFP1TP53
SCHEMBL919767 0.89 MMP13 (0.46) KLKB1KLK1HPGDMAPK14KDM4E
SCHEMBL920420 0.89 MAPK14 (0.49) KLKB1HPGDSMN1; SMN2MAPK14CYP3A4
SCHEMBL919964 0.87 MAPK14 (0.57) KLKB1KLK1HPGDLMNASMN1; SMN2
SCHEMBL920232 0.87 MMP13 (0.44) KLKB1KLK1HPGDMAPK14KDM4E
SCHEMBL921070 0.87 GCK (0.48) KLKB1SMN1; SMN2MAPK14

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
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 CN disclosed
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 KLKB1 4691/4885KLK1 3727/4885POLB 4159/4885

“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.