SCHEMBL1124773

SCHEMBL1124773

O=C=Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
ADAMTS4 O75173 1/20 0.43
TSHR P16473 2/20 0.42
KMT2A Q03164 1/20 0.40
PTPN1 P18031 1/20 0.40
S100A4 P26447 2/20 0.39
HPGD P15428 1/20 0.39
PLAU P00749 1/20 0.39
PTPRC P08575 1/20 0.39
GPR35 Q9HC97 1/20 0.39
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AURKA O14965 1/20 0.37
GSK3A P49840 1/20 0.37

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
SCHEMBL5668786 0.84 MAPT (0.44) ALDH1A1TDP1TSHRKMT2AGPR35
SCHEMBL17695176 0.81 ALDH1A1 (0.67) ALDH1A1TDP1ADAMTS4TSHRKMT2A
SCHEMBL28610751 0.79 ALDH1A1 (0.43) ALDH1A1TDP1ADAMTS4TSHRKMT2A
SCHEMBL2958562 0.77 ALDH1A1 (0.92) ALDH1A1TDP1ADAMTS4TSHRKMT2A
SCHEMBL9761836 0.77 ALDH1A1 (0.76) ALDH1A1TDP1KMT2APTPN1S100A4
SCHEMBL30196067 0.77 ALDH1A1 (1.00) ALDH1A1TDP1ADAMTS4TSHRKMT2A
SCHEMBL44392 0.77 ALDH1A1 (1.00) ALDH1A1TDP1ADAMTS4TSHRKMT2A
Benzene SCHEMBL28038982 0.77 ALDH1A1 (1.00) ALDH1A1TDP1ADAMTS4TSHRKMT2A
SCHEMBL28674811 0.76 ALDH1A1 (0.59) ALDH1A1TDP1ADAMTS4TSHRKMT2A
SCHEMBL11519196 0.76 TDP1 (0.59) ALDH1A1TDP1ADAMTS4KMT2AHPGD

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 5 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 ALDH1A1 1202/4885TDP1 2710/4885ADAMTS4 4773/4885

“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.