SCHEMBL508752

SCHEMBL508752

CCc1cc([N+](=O)[O-])ccc1C(CC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
CYP1A2 P05177 1/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.41
PTPRA P18433 1/20 0.40
MAPT P10636 2/20 0.39
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4197252 0.85 CYP1A2 (0.50) AKR1C3AKR1C2CYP1A2HTTTP53
SCHEMBL31248053 0.85 CYP1A2 (0.50) AKR1C3AKR1C2CYP1A2HTTTP53
SCHEMBL1640118 0.84 AKR1C3 (0.55) AKR1C3AKR1C2CYP1A2HTTTP53
SCHEMBL9070339 0.84 TDP1 (0.51) AKR1C3AKR1C2HTTTP53ALDH1A1
SCHEMBL4658229 0.84 AKR1C3 (0.46) AKR1C3AKR1C2HTTTP53POLB
SCHEMBL1640119 0.84 AKR1C3 (0.55) AKR1C3AKR1C2CYP1A2HTTTP53
SCHEMBL4369639 0.82 GAA (0.50) AKR1C3AKR1C2HTTTP53POLB
SCHEMBL4658986 0.82 ALDH1A1 (0.49) AKR1C3AKR1C2HTTTP53POLB
SCHEMBL4369630 0.82 GAA (0.50) AKR1C3AKR1C2HTTTP53POLB
SCHEMBL4658268 0.81 LMNA (0.48) AKR1C3AKR1C2POLBALDH1A1MAPT

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-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-8470738-B2 Pyridazinone compound and herbicide containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-25 US disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2406232-A1 PYRIDAZINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-01-18 EP disclosed
EP-2188264-B1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-03-23 EP disclosed
WO-2010104217-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 WO disclosed
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-26 US 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-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 AKR1C3 107/4885AKR1C2 534/4885CYP1A2 56/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 AKR1C3 103/4885AKR1C2 149/4885CYP1A2 26/4885

“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.