SCHEMBL919487

SCHEMBL919487

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.46
KLK1 P06870 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
POLB P06746 3/20 0.44
ROCK1 Q13464 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 2/20 0.42
ROCK2 O75116 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
SCHEMBL921681 0.92 FAAH (0.44) KLKB1LMNASMN1; SMN2
SCHEMBL920226 0.92 HDAC1 (0.44) KLKB1ROCK1LMNASMN1; SMN2TP53
SCHEMBL921032 0.92 POLB (0.51) KLKB1KLK1RXFP1POLBHPGD
SCHEMBL920524 0.90 KDM4E (0.50) RXFP1POLBROCK1HPGDSMN1; SMN2
SCHEMBL921982 0.89 MAPK14 (0.44) HPGD
SCHEMBL919549 0.89 KLKB1 (0.52) KLKB1KLK1RXFP1POLBROCK1
SCHEMBL922765 0.88 MAPK14 (0.47) KLKB1HPGDSMN1; SMN2CYP3A4
SCHEMBL919925 0.88 HTR2C (0.49) KLKB1CYP3A4
SCHEMBL921301 0.87 KDM4E (0.43) HPGD
SCHEMBL921469 0.86 MAPK14 (0.52) KLKB1KLK1HPGDLMNASMN1; SMN2

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 KLKB1 4691/4885KLK1 3727/4885RXFP1 1712/4885

“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.