SCHEMBL919937

SCHEMBL919937

CCCCCCOc1cccc(CNC(=O)c2cccnc2N)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
KMT2A Q03164 1/20 0.56
ROCK1 Q13464 3/20 0.53
ROCK2 O75116 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GGPS1 O95749 1/20 0.51
DHFR P00374 5/20 0.49
EPHX2 P34913 2/20 0.48
SMPD1 P17405 3/20 0.48

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
SCHEMBL919491 1.00 HPGD (0.56) HPGDKMT2AROCK1ROCK2CYP3A4
SCHEMBL921958 0.99 HPGD (0.57) HPGDKMT2AROCK1ROCK2CYP3A4
SCHEMBL920791 0.96 HPGD (0.58) HPGDKMT2AROCK1ROCK2CYP3A4
SCHEMBL921059 0.93 ROCK1 (0.61) HPGDKMT2AROCK1ROCK2CYP3A4
SCHEMBL920496 0.92 HPGD (0.54) HPGDKMT2AROCK1ROCK2CYP3A4
SCHEMBL921644 0.92 HPGD (0.58) HPGDKMT2AROCK1ROCK2CYP3A4
SCHEMBL920921 0.91 HPGD (0.58) HPGDKMT2AROCK1ROCK2CYP3A4
SCHEMBL920783 0.90 HPGD (0.54) HPGDKMT2AROCK1ROCK2CYP3A4
SCHEMBL921824 0.89 HPGD (0.58) HPGDKMT2AROCK1ROCK2CYP3A4
SCHEMBL919973 0.89 ROCK1 (0.57) HPGDKMT2AROCK1ROCK2CYP3A4

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 4 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
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
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 2469/4885ROCK1 2455/4885

“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.