SCHEMBL386103

SCHEMBL386103

O=[N+]([O-])c1ccc2c(c1)C=[C]C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.42
LMNA P02545 2/20 0.42
ADRA2A P08913 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
TLR9 Q9NR96 1/20 0.42
GPR35 Q9HC97 2/20 0.42
TSHR P16473 3/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TDP2 O95551 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL2728137 0.69 CA9 (0.49) PNMTLMNAADRA2AMEN1MAPT
SCHEMBL7470998 0.69 PNMT (0.47) PNMTLMNAADRA2AMEN1MAPT
SCHEMBL30709850 0.69 PNMT (0.65) PNMTLMNAADRA2AMEN1MAPT
SCHEMBL9483063 0.69 PNMT (0.65) PNMTLMNAADRA2AMEN1MAPT
SCHEMBL30049268 0.67 TLR9 (0.79) PNMTLMNAADRA2AMEN1MAPT
SCHEMBL987760 0.67 TLR9 (0.79) PNMTLMNAADRA2AMEN1MAPT
Ammonia Solution, Strong SCHEMBL27905491 0.67 LMNA (0.62) PNMTLMNAADRA2AMEN1MAPT
SCHEMBL23174894 0.67 PNMT (0.45) PNMTLMNAADRA2AMEN1MAPT
SCHEMBL29253975 0.67 LMNA (0.53) PNMTLMNAADRA2AMEN1MAPT
SCHEMBL3442079 0.67 CA9 (0.47) PNMTLMNAADRA2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 EP disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 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 (7 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A PNMT 487/4885LMNA 3703/4885ADRA2A 488/4885
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT PNMT 451/4885LMNA 4143/4885ADRA2A 1414/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A PNMT 487/4885LMNA 3703/4885ADRA2A 488/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 PNMT 938/4885LMNA 3060/4885ADRA2A 2857/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB PNMT 229/4885LMNA 1187/4885ADRA2A 905/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 PNMT 552/4885LMNA 2699/4885ADRA2A 1511/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A PNMT 118/4885LMNA 1759/4885ADRA2A 1345/4885

“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.