SCHEMBL2149474

SCHEMBL2149474

[O]c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.61
TSHR P16473 1/20 0.61
VCAM1 P19320 1/20 0.56
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PDE7A Q13946 10/20 0.50
PDE7B Q9NP56 5/20 0.50
KIF18A Q8NI77 1/20 0.49
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL1524058 0.82 MAPK1 (0.72) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL6125034 0.80 MAPK1 (0.63) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL358730 0.80 MAPK1 (0.69) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL29394047 0.80 MAPK1 (0.69) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL29580152 0.78 ALDH1A1 (0.64) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
Ammonia Solution, Strong SCHEMBL28805237 0.78 MAPK1 (0.67) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL306375 0.78 ALDH1A1 (0.64) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL2257971 0.77 MAPK1 (0.59) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL305611 0.77 MAPK1 (0.62) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL5157523 0.77 MAPK1 (0.59) MAPK1TSHRVCAM1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3961059-A 6-(Substituted phenoxy)tetrazolo(1,5-b)pyridazines and a method of use for control of soil-borne plant diseases THE DOW CHEMICAL COMPANY (US) 1976-06-01 US claimed
JP-52131539-A None JP disclosed
US-7994152-B2 Method of treating a cancer by administering A 2′,5′-oligoadenylate analog SANKYO COMPANY, LIMITED (JP) 2011-08-09 US disclosed
EP-1081228-B1 Process for producing carboxylic acid isomer SUMITOMO CHEMICAL CO (JP) 2011-07-13 EP disclosed
US-20100035976-A1 Method of treating a tumor or a viral disease by administering a 2' , 5' -oligoadenylate analog SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-7651999-B2 phosphorothioate modification containg oligonadenylates useful as antiviral, anticarcinogenic and antitumor agent; stable and have superior activity for treating lung cancer SANKYO COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-20050261235-A1 2' ,5' -Oligoadenylate analogs SANKYO COMPANY, LIMITED (JP) 2005-11-24 US disclosed
EP-1568704-A1 NOVEL 2' ,5' -OLIGOADENYLIC ACID ANALOGUES Sankyo Company, Limited (JP) 2005-08-31 EP disclosed
US-6365399-B1 EFFICIENT PROCESS FOR PRODUCTION OF CHEMICAL INTERMEDIATES OF DRUGS AND AGRICULTURAL CHEMICALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-04-02 US disclosed
EP-1081228-A2 Process for producing carboxylic acid isomer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-07 EP disclosed
JP-S52131539-A PHENOXYPHENOXYPROPIONIC ACID DERIVATIVES AND HERBICIDES ISHIHARA SANGYO KAISHA LTD 1977-11-04 JP disclosed
US-3961059-A 6-(Substituted phenoxy)tetrazolo(1,5-b)pyridazines and a method of use for control of soil-borne plant diseases THE DOW CHEMICAL COMPANY (US) 1976-06-01 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-20050261235-A1 2' ,5' -Oligoadenylate analogs NSUN2, RNGTT, NSUN3 MAPK1 2049/4885TSHR 1870/4885VCAM1 4562/4885
US-20100035976-A1 Method of treating a tumor or a viral disease by administering a 2' , 5' -oligoadenylate analog ADAR, NSUN2, ADORA3 MAPK1 4245/4885TSHR 1214/4885VCAM1 4507/4885

“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.