SCHEMBL2048003

SCHEMBL2048003

COc1cc(Cl)nnc1Oc1ccccc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.40
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RY1 P47900 11/20 0.38
NR1I2 O75469 1/20 0.38
CYP2C8 P10632 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
LMNA P02545 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
SCHEMBL2044730 0.82 TDP1 (0.41) ALDH1A1P2RY1
SCHEMBL2050962 0.81 MEN1 (0.32) IDO1ALDH1A1RAB9AL3MBTL1LMNA
SCHEMBL2046805 0.80 RAB9A (0.47) ALDH1A1RAB9AL3MBTL1SMN1; SMN2HSP90AA1
SCHEMBL2046765 0.79 ALDH1A1 (0.52) ALDH1A1RAB9AL3MBTL1SMN1; SMN2HSP90AA1
SCHEMBL2051697 0.79 TP53 (0.52) ALDH1A1RAB9AL3MBTL1HSP90AA1HSP90AB1
SCHEMBL2047780 0.78 HSD11B1 (0.41) IDO1P2RY1
SCHEMBL2050581 0.77 P2RY1 (0.41) IDO1ALDH1A1P2RY1LMNA
SCHEMBL2046130 0.75 IDO1 (0.38) IDO1ALDH1A1RAB9AL3MBTL1P2RY1
SCHEMBL3154373 0.74 KMT2A (0.47) ALDH1A1RAB9AP2RY1SMN1; SMN2LMNA
SCHEMBL15577470 0.73 ALDH1A1 (0.38) ALDH1A1RAB9AL3MBTL1SMN1; SMN2HSP90AA1

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 IDO1 1408/4885ALDH1A1 447/4885RAB9A 2582/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 IDO1 1454/4885ALDH1A1 762/4885RAB9A 3242/4885

“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.