SCHEMBL2049643

SCHEMBL2049643

Oc1cc(Cl)nnc1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTA4H P09960 2/20 0.39
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39
ADORA2A P29274 1/20 0.39
TSHR P16473 2/20 0.38
TTR P02766 2/20 0.38
PIN1 Q13526 1/20 0.36
MAPK1 P28482 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL2044869 0.86 MAPK1 (0.42) MEN1KMT2ASMN1; SMN2TSHRMAPK1
SCHEMBL2048337 0.85 RAB9A (0.48) MEN1KMT2ATSHRCYP3A4CA12
SCHEMBL2045029 0.85 PDE4A (0.41) MEN1KMT2ATSHRPDE4APDE4B
SCHEMBL2046585 0.84 LMNA (0.51) MEN1KMT2ASMN1; SMN2LTA4HCYP1A2
SCHEMBL2051527 0.83 LTA4H (0.44) MEN1KMT2ASMN1; SMN2LTA4HTSHR
SCHEMBL2047791 0.83 S1PR2 (0.41) MEN1KMT2ASMN1; SMN2TSHRMAPK1
SCHEMBL2049656 0.83 KMT2A (0.43) MEN1KMT2ASMN1; SMN2TSHRMAPK1
SCHEMBL2046429 0.82 F10 (0.38) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL2047927 0.82 LMNA (0.47) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL2050330 0.82 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2TSHRPIN1

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 MEN1 4158/4885KMT2A 4298/4885SMN1; SMN2 4104/4885
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 MEN1 4596/4885KMT2A 572/4885SMN1; SMN2 3918/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 MEN1 4495/4885KMT2A 493/4885SMN1; SMN2 3931/4885

“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.