SCHEMBL2052374

SCHEMBL2052374

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALOX15 P16050 1/20 0.32
NOTUM Q6P988 1/20 0.32
NPC1 O15118 3/20 0.31
PKM P14618 3/20 0.31
RAB9A P51151 3/20 0.31
KMT2A Q03164 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2051208 0.94 NPSR1 (0.37) RORCNPSR1MAPTCYP3A4CYP2C9
SCHEMBL2044875 0.93 ALDH1A1 (0.38) RORCNPSR1MAPTCYP3A4CYP2C9
SCHEMBL2050486 0.91 ESR1 (0.41) RORCMAPTCYP2C9CYP2C19HTR1A
SCHEMBL2047814 0.89 HTR1A (0.38) RORCHTR1ASLC6A2SLC6A4ALOX15
SCHEMBL2051414 0.89 KMT2A (0.40) RORCNPSR1MAPTCYP2C9ALDH1A1
SCHEMBL2044586 0.88 ESR1 (0.35) RORCMAPTHTR1ASLC6A2SLC6A4
SCHEMBL4441314 0.88 KDM4E (0.36) RORCNPSR1MAPTCYP3A4CYP2C9
SCHEMBL2044994 0.87 KMT2A (0.36) RORCNPSR1MAPTCYP3A4CYP2C9
SCHEMBL2047651 0.87 KMT2A (0.35) MAPTPKMKMT2AMEN1LMNA
SCHEMBL2048042 0.87 KMT2A (0.38) RORCNPSR1MAPTCYP3A4CYP2C9

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
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 RORC 2851/4885NPSR1 2143/4885MAPT 4175/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 RORC 2800/4885NPSR1 2101/4885MAPT 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.