SCHEMBL2052277

SCHEMBL2052277

CN(C)c1ccccc1Oc1nnc(Cl)cc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.35
TSPO P30536 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EDNRA P25101 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
ADRB2 P07550 1/20 0.32
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
MCL1 Q07820 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL2048850 0.83 TP53 (0.42) ALDH1A1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL2047260 0.81 LMNA (0.46) ALDH1A1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL2053013 0.80 CA1 (0.44) ALDH1A1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL2047940 0.80 MEN1 (0.47) ALDH1A1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL2051725 0.80 CA1 (0.40) ALDH1A1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL2048758 0.79 ALDH1A1 (0.37) ALDH1A1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL2049660 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2051301 0.79 LMNA (0.40) ALDH1A1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL2047088 0.78 RXRA (0.35) ALDH1A1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL2044730 0.77 TDP1 (0.41) ALDH1A1TSHR

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 GPBAR1 3912/4885TSPO 4785/4885ALDH1A1 447/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 GPBAR1 4004/4885TSPO 4778/4885ALDH1A1 762/4885

“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.