SCHEMBL7013703

SCHEMBL7013703

NN(C=O)C(=S)Nc1cc(Oc2ncccc2C(F)(F)F)c(Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 9/20 0.44
ROCK2 O75116 2/20 0.35
S1PR3 Q99500 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL7019648 0.83 P2RY1 (0.54) P2RY1ROCK2S1PR3KDM4EMEN1
SCHEMBL7013769 0.79 P2RY1 (0.50) P2RY1ROCK2S1PR3KDM4EMEN1
SCHEMBL7015559 0.78 P2RY1 (0.47) P2RY1ROCK2S1PR3KDM4EMEN1
SCHEMBL7017371 0.73 CYP1A2 (0.41) P2RY1CYP1A2CYP2C19KCNH2
SCHEMBL7024710 0.68 APLNR (0.43) P2RY1KCNH2
SCHEMBL7017904 0.68 P2RY1 (0.39) P2RY1ROCK2KCNH2
SCHEMBL11922586 0.66 FPR2 (0.41) P2RY1MALT1
SCHEMBL11922594 0.65 TDP1 (0.41) P2RY1MALT1
SCHEMBL17772778 0.65 KCNN4 (0.40) P2RY1MALT1KCNH2
SCHEMBL7104127 0.65 P2RY1 (0.37) P2RY1MALT1KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973395-B1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2003-12-03 EP disclosed
US-6479435-B1 OR DIARYL SULFIDES, 1-(4-CHLORO-2-FLUORO-5-(2-PYRIMIDYLOXY)PHENYL)-4-DIFLUOROMETHY L-3-METHYL-1,4-DIHYDRO-1,2,4-TRIAZOLIN-5-ONE FOR EXAMPLE ISK AMERICAS INCORPORATED 2002-11-12 US disclosed
US-20020161224-A1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them PULMAN DAVID A (US) 2002-10-31 US disclosed
US-6333296-B1 FOR CONTRILLING WEEDS ISK AMERICAS INCORPORATED 2001-12-25 US disclosed
US-6303543-B1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-10-16 US 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-20020161224-A1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them HDHD5, DDT, CBR3 P2RY1 2204/4885ROCK2 3523/4885S1PR3 4023/4885

“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.