SCHEMBL921178

SCHEMBL921178

C=CCCCOc1cccc(CNC(=O)c2ccc(F)nc2N)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ROCK1 Q13464 8/20 0.42
MMP13 P45452 4/20 0.41
ROCK2 O75116 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 3/20 0.41
TNIK Q9UKE5 1/20 0.39
THRB P10828 1/20 0.39
GLS O94925 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP2 P08253 1/20 0.38
MMP10 P09238 1/20 0.38
MMP8 P22894 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
SCHEMBL921836 0.97 HPGD (0.42) HPGDKMT2AKDM4EUSP2ALDH1A1
SCHEMBL923703 0.96 HPGD (0.41) HPGDKMT2AKDM4EUSP2ALDH1A1
SCHEMBL921486 0.89 HPGD (0.44) HPGDKMT2AKDM4EUSP2ALDH1A1
SCHEMBL921485 0.89 HPGD (0.44) HPGDKMT2AKDM4EUSP2ALDH1A1
SCHEMBL920168 0.89 HPGD (0.46) HPGDKMT2AKDM4EUSP2ALDH1A1
SCHEMBL922582 0.88 EPHX2 (0.48) HPGDKMT2AKDM4EUSP2ALDH1A1
SCHEMBL922581 0.88 EPHX2 (0.48) HPGDKMT2AKDM4EUSP2ALDH1A1
SCHEMBL922163 0.86 ROCK1 (0.48) HPGDKMT2AKDM4EUSP2ALDH1A1
SCHEMBL922592 0.86 HPGD (0.43) HPGDKMT2AKDM4EUSP2ALDH1A1
SCHEMBL922590 0.86 HPGD (0.43) HPGDKMT2AKDM4EUSP2ALDH1A1

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 HPGD 1273/4885KMT2A 2469/4885KDM4E 3657/4885

“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.