SCHEMBL2050486

SCHEMBL2050486

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPT P10636 7/20 0.40
KMT2A Q03164 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
HPGD P15428 5/20 0.38
PKM P14618 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
GAA P10253 1/20 0.36
RORC P51449 2/20 0.36
LMNA P02545 1/20 0.35
JMJD7 P0C870 1/20 0.35

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
SCHEMBL2050656 0.93 RAB9A (0.34) ESR1ESR2MAPTKMT2ANPC1
SCHEMBL2047814 0.91 HTR1A (0.38) ESR1ESR2KMT2ARAB9AHPGD
SCHEMBL2052374 0.91 RORC (0.35) ESR1ESR2MAPTKMT2ACYP2C9
SCHEMBL2048322 0.91 RORC (0.37) HTR1ASLC6A2SLC6A4RORC
SCHEMBL2051414 0.91 KMT2A (0.40) ESR1ESR2MAPTKMT2ACYP1A2
SCHEMBL4441314 0.89 KDM4E (0.36) ESR1ESR2MAPTKMT2ACYP1A2
SCHEMBL2049257 0.89 MAPT (0.38) MAPTKMT2AHTR1ASLC6A2SLC6A4
SCHEMBL2048042 0.89 KMT2A (0.38) ESR1ESR2MAPTKMT2ACYP2C9
SCHEMBL2049642 0.88 HTR1A (0.36) HPGDHTR1ASLC6A2SLC6A4RORC
SCHEMBL2052175 0.88 RAB9A (0.35) KMT2ANPC1RAB9ASMN1; SMN2HPGD

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 ESR1 2816/4885ESR2 2118/4885MAPT 4175/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ESR1 2410/4885ESR2 1700/4885MAPT 3630/4885

“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.