SCHEMBL2050385

SCHEMBL2050385

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)C(C)(C)Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.38
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SSTR4 P31391 2/20 0.31
SSTR1 P30872 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NOTUM Q6P988 1/20 0.30
SYK P43405 1/20 0.30
NR3C1 P04150 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL2044337 0.93 RORC (0.44) RORCHTR1ASLC6A2SLC6A4LMNA
SCHEMBL2050187 0.89 RORC (0.37) RORCHTR1ASLC6A2SLC6A4LMNA
SCHEMBL2046452 0.88 KDM4E (0.40) RORCHTR1ASLC6A2SLC6A4KDM4E
SCHEMBL2045414 0.86 RORC (0.34) RORCHTR1ASLC6A2SLC6A4LMNA
SCHEMBL4444473 0.86 POLB (0.36) RORCHTR1ASLC6A2SLC6A4KDM4E
SCHEMBL2046017 0.86 HTR1A (0.34) RORCHTR1ASLC6A2SLC6A4KDM4E
SCHEMBL2045785 0.86 MEN1 (0.40) RORCHTR1ASLC6A2SLC6A4NPSR1
SCHEMBL2046336 0.86 HTR1A (0.34) RORCHTR1ASLC6A2SLC6A4LMNA
SCHEMBL2049642 0.86 HTR1A (0.36) RORCHTR1ASLC6A2SLC6A4KDM4E
SCHEMBL2051856 0.85 CNR2 (0.35) RORCHTR1ASLC6A2SLC6A4SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964531-B2 3-phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-21 US disclosed
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2010-02-18 US disclosed
US-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 US disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 EP disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 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 (2 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-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 RORC 2851/4885HTR1A 1326/4885SLC6A2 3620/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 RORC 2800/4885HTR1A 2135/4885SLC6A2 3617/4885

“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.