SCHEMBL5657894

SCHEMBL5657894

O=c1[nH]c2cc(CCO)ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
NOS1 P29475 4/20 0.53
NOS3 P29474 3/20 0.53
NOS2 P35228 3/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
ADRA2A P08913 1/20 0.53
TSHR P16473 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
OGT O15294 1/20 0.46
KMO O15229 1/20 0.43
PDE10A Q9Y233 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX5 P09917 1/20 0.39
GAA P10253 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
SCHEMBL2940114 0.86 NOS1 (0.56) POLBNOS1NOS3NOS2LMNA
SCHEMBL5544121 0.83 NOS1 (0.53) POLBNOS1NOS3NOS2LMNA
SCHEMBL1469801 0.83 NOS1 (0.53) POLBNOS1NOS3NOS2LMNA
SCHEMBL21439486 0.81 NOS1 (0.47) POLBNOS1NOS3NOS2LMNA
SCHEMBL5543089 0.81 NOS1 (0.50) POLBNOS1NOS3NOS2LMNA
SCHEMBL5543895 0.80 NOS1 (0.49) POLBNOS1NOS3NOS2LMNA
SCHEMBL5491863 0.80 NOS1 (0.53) POLBNOS1NOS3NOS2LMNA
SCHEMBL8186885 0.79 NOS1 (0.56) POLBNOS1NOS3NOS2LMNA
SCHEMBL5542404 0.79 NOS1 (0.56) POLBNOS1NOS3NOS2LMNA
SCHEMBL7903542 0.79 NOS1 (0.61) POLBNOS1NOS3NOS2LMNA

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
US-7186730-B2 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2007-03-06 US disclosed
EP-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 EP disclosed
US-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 US disclosed
EP-1392686-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP disclosed
WO-2002096907-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-05 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 (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-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials NRDC, NUCB2, ASNS POLB 468/4885NOS1 161/4885NOS3 178/4885

“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.