SCHEMBL2045992

SCHEMBL2045992

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
RORC P51449 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.33
NCEH1 Q6PIU2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SYK P43405 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
SCHEMBL2046595 0.91 HTR1A (0.32) ACHEMAOAMAOBHTR1ASLC6A2
SCHEMBL2051856 0.90 CNR2 (0.35) ACHEHTR1ASLC6A2SLC6A4RORC
SCHEMBL2051441 0.90 BCHE (0.34) HTR1ASLC6A2SLC6A4RORCKDM4E
SCHEMBL2049653 0.89 LIPE (0.39) ACHENPC1RAB9ANPSR1LMNA
SCHEMBL2044284 0.89 LMNA (0.37) ACHEMAOAMAOBTSHRNPC1
SCHEMBL2046452 0.89 KDM4E (0.40) TSHRHTR1ASLC6A2SLC6A4RORC
SCHEMBL2051703 0.88 PTGIR (0.34) TSHRHTR1ASLC6A2SLC6A4RORC
SCHEMBL2047145 0.88 HTR1A (0.35) HTR1ASLC6A2SLC6A4LMNAKDM4E
SCHEMBL2050916 0.88 RECQL (0.33) HTR1ASLC6A2SLC6A4RORCSYK
SCHEMBL2047701 0.87 PDCD1 (0.39) ACHEMAOAMAOBTSHRRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 US claimed
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 CN disclosed
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
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN 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 ACHE 48/4885MAOA 1770/4885MAOB 1846/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ACHE 68/4885MAOA 2228/4885MAOB 2276/4885

“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.