SCHEMBL1124775

SCHEMBL1124775

O=C=Nc1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
IDO1 P14902 1/20 0.42
SCN2A Q99250 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
MAOB P27338 1/20 0.40
APP P05067 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPRC P08575 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.39
S100A4 P26447 1/20 0.39
IKBKB O14920 1/20 0.39
MAPT P10636 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 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
SCHEMBL28883292 0.80 HTR7 (0.46) HTR7ALDH1A1LMNAIDO1SCN2A
SCHEMBL29687996 0.79 CYP3A4 (0.48) ALDH1A1MAPK1TDP1HPGDPTGS2
SCHEMBL185120 0.79 CYP3A4 (0.48) ALDH1A1MAPK1TDP1HPGDPTGS2
SCHEMBL8202301 0.78 ALDH1A1 (0.47) HTR7ALDH1A1LMNAIDO1SCN2A
SCHEMBL29770893 0.78 CYP3A4 (0.44) ALDH1A1MAPK1TDP1TSHRHPGD
SCHEMBL692232 0.78 CYP3A4 (0.44) ALDH1A1MAPK1TDP1TSHRHPGD
SCHEMBL27685518 0.77 HTR7 (0.43) HTR7ALDH1A1LMNAIDO1SCN2A
Methane SCHEMBL27501832 0.77 CYP3A4 (0.47) ALDH1A1MAPK1TDP1HPGDPTGS2
SCHEMBL28240316 0.77 ALDH1A1 (0.58) HTR7ALDH1A1LMNASCN2APOLB
SCHEMBL27993066 0.76 CASP3 (0.62) HTR7ALDH1A1LMNAIDO1SCN2A

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
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

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 HTR7 3654/4885ALDH1A1 450/4885LMNA 2271/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 HTR7 1188/4885ALDH1A1 1202/4885LMNA 1278/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM HTR7 3654/4885ALDH1A1 450/4885LMNA 2271/4885

“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.