SCHEMBL921793

SCHEMBL921793

CCCC#CCOc1cccc(CNC(=O)c2ccc(C)nc2N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
ROCK1 Q13464 7/20 0.43
KMT2A Q03164 1/20 0.43
ROCK2 O75116 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 2/20 0.42
CHRM4 P08173 1/20 0.41
THRB P10828 1/20 0.40
TNIK Q9UKE5 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL919999 0.94 HPGD (0.43) HPGDKDM4EALDH1A1USP2KLKB1
SCHEMBL920272 0.93 ROCK1 (0.46) HPGDKDM4EALDH1A1USP2KLKB1
SCHEMBL920897 0.92 HPGD (0.46) HPGDKDM4EALDH1A1USP2KLKB1
SCHEMBL919750 0.90 HPGD (0.44) HPGDKDM4EALDH1A1USP2KLKB1
SCHEMBL921302 0.87 HPGD (0.44) HPGDKDM4EALDH1A1USP2ROCK1
SCHEMBL921245 0.87 HPGD (0.44) HPGDKDM4EALDH1A1USP2KLKB1
SCHEMBL922019 0.87 HPGD (0.53) HPGDKDM4EALDH1A1USP2ROCK1
SCHEMBL921732 0.86 HPGD (0.44) HPGDKDM4EALDH1A1USP2KLKB1
SCHEMBL919516 0.84 HPGD (0.42) HPGDKDM4EALDH1A1USP2KLKB1
SCHEMBL923076 0.84 DHFR (0.51) HPGDKDM4EALDH1A1USP2KLKB1

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 1273/4885KDM4E 3657/4885ALDH1A1 2743/4885

“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.