SCHEMBL5657107

SCHEMBL5657107

Cn1c(=O)oc2cc(CCOS(C)(=O)=O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
THRB P10828 1/20 0.46
PDE10A Q9Y233 2/20 0.46
HTR1A P08908 1/20 0.45
TSHR P16473 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL8109023 0.77 ALDH1A1 (0.50) PKMALDH1A1L3MBTL1THRBPDE10A
Hydrochloric Acid SCHEMBL10981754 0.76 ALDH1A1 (0.49) PKMALDH1A1L3MBTL1THRBPDE10A
SCHEMBL9437764 0.76 ALDH1A1 (0.55) PKMALDH1A1L3MBTL1THRBPDE10A
SCHEMBL10081599 0.75 PKM (0.57) PKMALDH1A1L3MBTL1PDE10ATSHR
SCHEMBL10393719 0.75 HTR1A (0.51) PKMALDH1A1L3MBTL1THRBPDE10A
Hydrochloric Acid SCHEMBL10992879 0.75 ALDH1A1 (0.54) PKMALDH1A1L3MBTL1THRBPDE10A
SCHEMBL2154696 0.74 ALDH1A1 (0.52) PKMALDH1A1L3MBTL1PDE10AHTR1A
SCHEMBL2112483 0.74 KDM4E (0.56) PKMALDH1A1L3MBTL1PDE10ATSHR
SCHEMBL13156347 0.74 PKM (0.49) PKMALDH1A1L3MBTL1PDE10AHTR1A
SCHEMBL9437869 0.74 HTR1A (0.53) PKMALDH1A1L3MBTL1THRBPDE10A

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 PKM 3908/4885ALDH1A1 3130/4885L3MBTL1 1131/4885

“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.