SCHEMBL2045407

SCHEMBL2045407

C=C(c1ccccc1Oc1nnc(Cl)cc1Cl)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CCR2 P41597 3/20 0.31
RORC P51449 1/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C19 P33261 2/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CCR4 P51679 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
SCHEMBL2046813 0.88 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2RAB9AL3MBTL1NPSR1
SCHEMBL2048957 0.79 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2RAB9AL3MBTL1NPSR1
SCHEMBL2050373 0.73 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2RAB9AL3MBTL1NPSR1
SCHEMBL2049222 0.72 ADRA2A (0.38) ALDH1A1SMN1; SMN2RAB9AL3MBTL1NPSR1
SCHEMBL2048264 0.71 SLC6A2 (0.40) ALDH1A1SMN1; SMN2RAB9AL3MBTL1NPSR1
SCHEMBL2047666 0.69 MAPT (0.34) ALDH1A1SMN1; SMN2RAB9AL3MBTL1NPSR1
SCHEMBL2049697 0.69 CYP1A2 (0.33) ALDH1A1SMN1; SMN2RAB9AL3MBTL1LMNA
SCHEMBL10321158 0.68 SMN1; SMN2 (0.43) SMN1; SMN2LMNACYP1A2CYP3A4CYP2C19
SCHEMBL2047742 0.68 LMNA (0.34) ALDH1A1SMN1; SMN2RAB9AL3MBTL1NPSR1
SCHEMBL2048822 0.68 HSD11B1 (0.41) ALDH1A1RAB9ALMNAADRA2AADRA2B

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 447/4885SMN1; SMN2 3918/4885RAB9A 2582/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885SMN1; SMN2 3931/4885RAB9A 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.