SCHEMBL922068

SCHEMBL922068

CC#CCCCCOc1cccc(CNC(=O)c2ccc(COC)nc2N)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 8/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ROCK2 O75116 4/20 0.40
KMT2A Q03164 1/20 0.40
TNIK Q9UKE5 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ADORA2A P29274 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
APEX1 P27695 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL922946 0.97 ROCK1 (0.45) ROCK1AURKARPS6KB1HPGDKDM4E
SCHEMBL922664 0.95 ROCK1 (0.46) ROCK1AURKARPS6KB1HPGDKDM4E
SCHEMBL922491 0.90 ROCK1 (0.45) ROCK1AURKARPS6KB1HPGDKDM4E
SCHEMBL920686 0.90 ROCK1 (0.44) ROCK1AURKARPS6KB1HPGDKDM4E
SCHEMBL923293 0.90 ROCK1 (0.44) ROCK1AURKARPS6KB1HPGDKDM4E
SCHEMBL920743 0.88 ROCK1 (0.47) ROCK1HPGDKDM4EUSP2ALDH1A1
SCHEMBL921789 0.88 ROCK1 (0.46) ROCK1AURKARPS6KB1HPGDKDM4E
SCHEMBL920543 0.88 DHFR (0.47) ROCK1HPGDKDM4EUSP2ALDH1A1
SCHEMBL922534 0.88 HPGD (0.44) ROCK1AURKARPS6KB1HPGDKDM4E
SCHEMBL924139 0.88 DHFR (0.47) ROCK1HPGDKDM4EUSP2ALDH1A1

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 ROCK1 2455/4885AURKA 4516/4885RPS6KB1 3870/4885

“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.