SCHEMBL1124777

SCHEMBL1124777

O=C=Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
PLAU P00749 1/20 0.47
NOS1 P29475 4/20 0.46
APP P05067 1/20 0.46
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NOS3 P29474 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL62027 0.94 PLAU (0.52) CA1CA2PLAUNOS1MAPT
SCHEMBL4266913 0.89 ALDH1A1 (0.51) PLAUNOS1MAPTLMNATSHR
SCHEMBL4266917 0.89 ALDH1A1 (0.51) PLAUNOS1MAPTLMNATSHR
SCHEMBL21630438 0.89 PLAU (0.47) PLAUNOS1MAPTLMNATSHR
SCHEMBL8163344 0.87 ALDH1A1 (0.54) PLAUNOS1MAPTLMNATSHR
SCHEMBL11593921 0.84 HSPB1 (0.56) CA1CA2CA9PLAUNOS1
SCHEMBL9357905 0.84 APP (0.55) CA12CA1CA2CA9PLAU
SCHEMBL11221931 0.84 HPGD (0.58) CA1CA2PLAUNOS1MAPT
SCHEMBL9557695 0.84 MAPT (0.51) PLAUNOS1MAPTLMNATSHR
SCHEMBL9357909 0.84 APP (0.55) CA12CA1CA2CA9PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO disclosed
EP-0621962-A1 FUNCTIONALIZED MEROCYANINE DYES AND POLYMERS INCORPORATING SUCH DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-02 EP disclosed
US-5256784-A Merocyanine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-26 US disclosed
WO-1993015596-A2 FUNCTIONALIZED MEROCYANINE DYES AND POLYMERS INCORPORATING SUCH DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-05 WO 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 (3 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM CA12 1927/4885CA1 2142/4885CA2 2844/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 CA12 4879/4885CA1 4876/4885CA2 4668/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM CA12 1927/4885CA1 2142/4885CA2 2844/4885

“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.