SCHEMBL2046845

SCHEMBL2046845

CN(C)c1ccc(C=O)c(Oc2nnc(Cl)cc2O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 3/20 0.37
BACE1 P56817 4/20 0.36
TRIM24 O15164 1/20 0.35
TYR P14679 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2A13 Q16696 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOB P27338 4/20 0.33
MAOA P21397 3/20 0.33
ERN1 O75460 2/20 0.33
PTGS1 P23219 1/20 0.33
ROCK2 O75116 1/20 0.32

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
SCHEMBL2051060 0.82 F10 (0.35) L3MBTL1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL22587845 0.72 ALDH1A1 (0.46) L3MBTL1ALDH1A1BACE1TRIM24TYR
SCHEMBL2052277 0.70 GPBAR1 (0.35) L3MBTL1ALDH1A1MAPTGAA
SCHEMBL2044997 0.70 MAPT (0.34) L3MBTL1TYRKMT2AMEN1NPC1
SCHEMBL2044999 0.70 MAPT (0.34) L3MBTL1TYRKMT2AMEN1NPC1
SCHEMBL154497 0.70 ALDH1A1 (0.68) L3MBTL1ALDH1A1BACE1TRIM24TYR
SCHEMBL1001895 0.70 TYR (0.52) ALDH1A1TRIM24TYRTRIM33KMT2A
SCHEMBL1002405 0.70 TDP1 (0.55) L3MBTL1ALDH1A1BACE1KDM4ECYP2A6
SCHEMBL29848301 0.70 TDP1 (0.55) L3MBTL1ALDH1A1BACE1KDM4ECYP2A6
SCHEMBL29446225 0.70 TYR (0.52) ALDH1A1TRIM24TYRTRIM33KMT2A

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 L3MBTL1 1259/4885ALDH1A1 447/4885BACE1 3977/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 L3MBTL1 1659/4885ALDH1A1 762/4885BACE1 4154/4885

“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.