SCHEMBL2046500

SCHEMBL2046500

Cc1cccc([N+](=O)[O-])c1Oc1nnc(Cl)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
KCNMA1 Q12791 1/20 0.37
GPR35 Q9HC97 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HSPB1 P04792 1/20 0.35
PIN1 Q13526 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALPL P05186 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
GFER P55789 1/20 0.34
MERTK Q12866 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL2051795 0.88 MAPT (0.47) SMN1; SMN2TDP1L3MBTL1MAPTPOLB
SCHEMBL2053030 0.85 HSPB1 (0.43) TSHRSMN1; SMN2TDP1L3MBTL1HSD17B10
SCHEMBL2050976 0.85 ALDH1A1 (0.37) SMN1; SMN2TDP1L3MBTL1MAPTPOLB
SCHEMBL2048521 0.84 HSP90AA1 (0.39) TSHRSMN1; SMN2L3MBTL1ALDH1A1MEN1
SCHEMBL2049704 0.84 TDP1 (0.44) TSHRSMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL2047890 0.82 HPGD (0.52) SMN1; SMN2TDP1L3MBTL1MAPTPOLB
SCHEMBL2051133 0.81 ALDH1A1 (0.44) TSHRSMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL2047471 0.80 RORC (0.38) L3MBTL1MAPTRAB9A
SCHEMBL2052498 0.79 NLRP3 (0.35) TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL2047581 0.78 HSP90AA1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 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
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN 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 TSHR 603/4885SMN1; SMN2 3918/4885TDP1 3974/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 TSHR 600/4885SMN1; SMN2 3931/4885TDP1 3924/4885

“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.