SCHEMBL2046381

SCHEMBL2046381

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)c1ccccc1Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 5/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2C9 P11712 4/20 0.36
GAA P10253 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.35
FNTA P49354 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
SCHEMBL4441314 0.92 KDM4E (0.36) KDM4EMAPTHTTALDH1A1CYP1A2
SCHEMBL2044787 0.91 NPSR1 (0.38) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2048042 0.91 KMT2A (0.38) KDM4EMAPTALDH1A1CYP2C9GAA
SCHEMBL2048672 0.90 TDP1 (0.44) KDM4EMAPTHTTALDH1A1GAA
SCHEMBL2051414 0.89 KMT2A (0.40) KDM4EMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL2051434 0.88 ALDH1A1 (0.34) KDM4EMAPTALDH1A1HSD17B10POLB
SCHEMBL2049057 0.88 AKR1C3 (0.38) MAPTSMN1; SMN2
SCHEMBL2051880 0.87 HTR1A (0.39) KDM4EMAPTHTTALDH1A1CYP1A2
SCHEMBL2044994 0.87 KMT2A (0.36) KDM4EMAPTHTTALDH1A1CYP1A2
SCHEMBL2051871 0.87 ALDH1A1 (0.33) KDM4EMAPTHTTALDH1A1CYP1A2

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 SCN1A 1051/4885SCN2A 600/4885SCN3A 454/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 SCN1A 1150/4885SCN2A 545/4885SCN3A 497/4885

“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.