SCHEMBL2052371

SCHEMBL2052371

Oc1cc(Cl)nnc1Oc1ccccc1OC(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 4/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
LRRK2 Q5S007 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TP53 P04637 1/20 0.33
HTR1E P28566 1/20 0.33
HTT P42858 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
SCHEMBL2047797 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL2051725 0.82 CA1 (0.40) ALDH1A1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL2053013 0.82 CA1 (0.44) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL2048850 0.82 TP53 (0.42) ALDH1A1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL2049660 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2047260 0.80 LMNA (0.46) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL2050885 0.80 MRGPRX1 (0.38) ALDH1A1RAB9AL3MBTL1
SCHEMBL2047940 0.79 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL2044425 0.78 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL2046187 0.78 GABRA1 (0.41) ALDH1A1MEN1KMT2ARAB9ALMNA

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 ALDH1A1 447/4885MEN1 4596/4885KMT2A 572/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885MEN1 4495/4885KMT2A 493/4885

“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.