SCHEMBL923076

SCHEMBL923076

CCCCCOc1cccc(CNC(=O)c2ccc(C)nc2N)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.51
ROCK1 Q13464 4/20 0.49
ROCK2 O75116 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GGPS1 O95749 1/20 0.47
KLKB1 P03952 1/20 0.46
KLK1 P06870 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL923442 0.99 DHFR (0.53) DHFRROCK1ROCK2CYP3A4CYP2D6
SCHEMBL920174 0.99 DHFR (0.53) DHFRROCK1ROCK2CYP3A4CYP2D6
SCHEMBL922163 0.89 ROCK1 (0.48) DHFRROCK1ROCK2CYP3A4CYP2D6
SCHEMBL920827 0.88 HPGD (0.44) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL923483 0.88 MAOB (0.46) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL922080 0.88 ROCK1 (0.46) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL920272 0.88 ROCK1 (0.46) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL922081 0.88 ROCK1 (0.46) ROCK1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL921961 0.88 DHFR (0.49) DHFRROCK1ROCK2CYP3A4CYP2D6
SCHEMBL922643 0.88 DHFR (0.49) DHFRROCK1ROCK2CYP3A4CYP2D6

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 DHFR 1140/4885ROCK1 2455/4885ROCK2 3686/4885

“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.