SCHEMBL923670

SCHEMBL923670

Nc1ncccc1C(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
MLYCD O95822 1/20 0.56
DHFR P00374 1/20 0.56
MEN1 O00255 1/20 0.55
PLA2G1B P04054 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
AURKA O14965 2/20 0.54
RPS6KB1 P23443 2/20 0.54
AURKB Q96GD4 1/20 0.54
CCR1 P32246 7/20 0.54
SORT1 Q99523 1/20 0.52
MAPK14 Q16539 1/20 0.51

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
SCHEMBL920195 0.90 MAPK14 (0.55) LMNAHPGDDHFRMEN1CYP1A2
SCHEMBL921323 0.85 MAPK14 (0.57) HPGDKMT2AMAPK14
SCHEMBL919622 0.85 MAPK14 (0.54) MEN1CYP1A2CYP2C19KMT2AMAPK14
SCHEMBL616941 0.85 DHFR (0.56) LMNAHPGDMLYCDDHFRMEN1
SCHEMBL922542 0.84 ROCK1 (0.57) HPGDKMT2AAURKARPS6KB1AURKB
SCHEMBL920245 0.84 HPGD (0.54) LMNAHPGDMEN1KMT2ATDP1
SCHEMBL920754 0.83 KCNQ3 (0.51) LMNAHPGDMEN1CYP1A2CYP2C19
SCHEMBL921706 0.83 PPARG (0.54) HPGDKMT2ASORT1MAPK14
SCHEMBL921415 0.83 ROCK2 (0.53) HPGDCYP1A2CYP3A4KMT2ATDP1
SCHEMBL27803858 0.83 NSD2 (0.52) HPGDKMT2ATDP1

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 LMNA 4812/4885HPGD 1273/4885MLYCD 1303/4885

“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.