SCHEMBL5658648

SCHEMBL5658648

O=C1COc2ccc(CCO)cc2N1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.68
NR3C2 P08235 3/20 0.61
MMP12 P39900 1/20 0.56
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
DRD4 P21917 5/20 0.52
DRD2 P14416 4/20 0.52
DRD3 P35462 3/20 0.52
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.49

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
SCHEMBL11002313 0.91 PARP1 (0.77) PARP1NR3C2MMP12ALDH1A1MAPT
SCHEMBL554735 0.88 PARP1 (0.72) PARP1NR3C2MMP12ALDH1A1MAPT
SCHEMBL11006154 0.86 PARP1 (0.70) PARP1NR3C2MMP12ALDH1A1MAPT
SCHEMBL11004751 0.86 PARP1 (0.70) PARP1NR3C2MMP12ALDH1A1MAPT
SCHEMBL4263588 0.85 PARP1 (0.65) PARP1NR3C2MMP12ALDH1A1MAPT
SCHEMBL12844300 0.85 PARP1 (0.78) PARP1NR3C2MMP12ALDH1A1MAPT
SCHEMBL532022 0.85 PARP1 (0.68) PARP1NR3C2MMP12ALDH1A1MAPT
SCHEMBL9437898 0.85 PARP1 (0.68) PARP1NR3C2MMP12ALDH1A1MAPT
SCHEMBL31033201 0.85 PARP1 (0.78) PARP1NR3C2MMP12ALDH1A1MAPT
SCHEMBL8786575 0.85 PARP1 (0.68) PARP1NR3C2MMP12ALDH1A1MAPT

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 PARP1 549/4885NR3C2 4548/4885MMP12 1942/4885

“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.