SCHEMBL2044083

SCHEMBL2044083

COc1ccc(Br)c(Oc2nnc(Cl)cc2O)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.35
ALOX12 P18054 1/20 0.35
TUBB1 Q9H4B7 7/20 0.34
TUBB4A P04350 4/20 0.34
TUBB P07437 4/20 0.34
TUBA3C P0DPH7 4/20 0.34
TUBA1B P68363 4/20 0.34
TUBA4A P68366 4/20 0.34
TUBB4B P68371 4/20 0.34
TUBB3 Q13509 4/20 0.34
TUBB2A Q13885 4/20 0.34
TUBB8 Q3ZCM7 4/20 0.34
TUBA3E Q6PEY2 4/20 0.34
TUBA1A Q71U36 4/20 0.34
TUBA1C Q9BQE3 4/20 0.34
TUBB6 Q9BUF5 4/20 0.34
TUBB2B Q9BVA1 4/20 0.34
NQO2 P16083 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL2045692 0.85
SCHEMBL2049482 0.85
SCHEMBL2051854 0.83
SCHEMBL2045172 0.83 ALOX15 (0.38) ALOX15ALOX12ALDH1A1LMNANPC1
SCHEMBL2046053 0.82 KMT2A (0.36) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2047464 0.81 HTR1A (0.32) NPC1MAPT
SCHEMBL2049679 0.80 ALDH1A1 (0.40) ALOX15ALOX12NQO2ALDH1A1LMNA
SCHEMBL2050928 0.79 WDR5 (0.38) ALOX15ALOX12ALDH1A1LMNAAMY1A
SCHEMBL2051380 0.78 ALDH1A1 (0.41) ALOX15ALOX12NQO2ALDH1A1LMNA
SCHEMBL2046717 0.78 POLB (0.31) ALOX15

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 ALOX15 3730/4885ALOX12 3265/4885TUBB1 2010/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALOX15 4178/4885ALOX12 3640/4885TUBB1 1987/4885

“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.