SCHEMBL7019547

SCHEMBL7019547

COc1cc(OC)nc(Oc2cc(N)c(F)cc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 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
SCHEMBL1224878 0.77 NPC1 (0.67) NPSR1L3MBTL1NPC1ALDH1A1GAA
SCHEMBL6281915 0.75 ALDH1A1 (0.41) NPC1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9632200 0.74 RAB9A (0.48) L3MBTL1NPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7017368 0.73 NPC1 (0.36) NPC1CYP1A2CYP2C19GAA
SCHEMBL7021245 0.72 GAA (0.41) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6636015 0.72 LMNA (0.41) ALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL9761784 0.72 NPSR1 (0.55) NPSR1L3MBTL1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8341283 0.72 L3MBTL1 (0.46) NPSR1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL7014869 0.71 GRM4 (0.38) L3MBTL1
SCHEMBL7019302 0.71 MAPT (0.38)

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 9 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
EP-0973395-A4 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2001-10-04 EP disclosed
US-6121201-A HETEROARYL SUBSTITUTED HALO-PYRAZOLE SUBSTITUTED DIARYL ETHERS OR THIOETHERS ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-09-19 US disclosed
EP-0973395-A1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK Americas Incorporated (US) 2000-01-26 EP disclosed
WO-1998041093-A1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INCORPORATED (US) 1998-09-24 WO 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 NPSR1 2579/4885L3MBTL1 679/4885NPC1 3713/4885

“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.