SCHEMBL2049964

SCHEMBL2049964

Cc1c([N+](=O)[O-])ccc(C2CC2)c1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GPR35 Q9HC97 3/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ERN1 O75460 1/20 0.37
SLC18A3 Q16572 1/20 0.36
POLB P06746 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL18184967 0.79 TDP1 (0.62) TDP1TSHRSMN1; SMN2GPR35KMT2A
SCHEMBL2651124 0.74 TDP1 (0.54) TDP1TSHRSMN1; SMN2GPR35MAPT
SCHEMBL1265167 0.74 TDP1 (0.54) TDP1TSHRSMN1; SMN2GPR35KMT2A
SCHEMBL28755195 0.73 TDP1 (0.52) TDP1TSHRSMN1; SMN2GPR35MAPT
SCHEMBL16958047 0.72 TSHR (0.58) TDP1TSHRGPR35MAPTMAPK1
SCHEMBL31586887 0.72 TSHR (0.58) TDP1TSHRSMN1; SMN2GPR35MAPT
SCHEMBL2049409 0.72 HTR2C (0.44) TDP1GPR35KMT2AMEN1ALDH1A1
SCHEMBL824145 0.72 GPR35 (0.56) TDP1SMN1; SMN2GPR35KMT2AMEN1
SCHEMBL27957527 0.72 TDP1 (0.50) TDP1TSHRSMN1; SMN2GPR35CYP3A4
SCHEMBL11040922 0.72 TDP1 (0.52) TDP1TSHRSMN1; SMN2GPR35MAPK1

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 TDP1 3974/4885TSHR 603/4885SMN1; SMN2 3918/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 TDP1 3924/4885TSHR 600/4885SMN1; 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.