SCHEMBL2050554

SCHEMBL2050554

Oc1cc(Cl)nnc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
RAB9A P51151 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.44
P2RY1 P47900 6/20 0.44
F10 P00742 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.42
RECQL P46063 1/20 0.41
NTRK1 P04629 1/20 0.41
PPARG P37231 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2047575 0.86 CYP2C9 (0.47) ADORA2ARAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL2045898 0.85 JUN (0.39) ADORA2ARAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL28631132 0.82 ADORA2A (0.48) ADORA2ACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL2045029 0.81 PDE4A (0.41) CYP1A2CYP2C9CYP2C19F10MAPT
SCHEMBL2048337 0.81 RAB9A (0.48) RAB9AL3MBTL1F10ALDH1A1MAPT
SCHEMBL22116189 0.80 CYP1A2 (0.55) ADORA2ARAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL22116067 0.80 ALDH1A1 (0.49) ADORA2ARAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL22116185 0.80 ADORA2A (0.44) ADORA2ARAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL22116186 0.80 ADORA2A (0.44) ADORA2ARAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL22116024 0.79 F10 (0.45) ADORA2ARAB9ACYP1A2CYP2C9CYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552182-B2 Method for producing a 3-(substituted-oxy)-4-pyridazinol derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-10-08 US disclosed
US-20120184736-A1 METHOD FOR PRODUCING A 3-(SUBSTITUTED-OXY)-4-PYRIDAZINOL DERIVATIVE MITSUI CHEMICALS AGRO, INC (JP) 2012-07-19 US disclosed
CN-102510857-A method for producing 3-substituted-oxy-4-pyridazinol derivative MITSUI CHEMICALS AGRO INC 2012-06-20 CN disclosed
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 (3 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-20120184736-A1 METHOD FOR PRODUCING A 3-(SUBSTITUTED-OXY)-4-PYRIDAZINOL DERIVATIVE CYP4F3, CYP4F2, PNPO ADORA2A 2511/4885RAB9A 4069/4885CYP1A2 6/4885
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 ADORA2A 3363/4885RAB9A 2582/4885CYP1A2 21/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ADORA2A 3318/4885RAB9A 3242/4885CYP1A2 29/4885

“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.