SCHEMBL5260758

SCHEMBL5260758

O=C1CSc2ccc(CN[C@H]3CC[C@H](C(=O)O)CC3)cc2N1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.41
LTA4H P09960 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
ICAM1 P05362 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL5263446 1.00 HTT (0.49) HTTPOLBALDH1A1LMNAATM
SCHEMBL5503903 0.85 HTT (0.46) HTTPOLBALDH1A1LMNAATM
SCHEMBL5518283 0.85 HTT (0.46) HTTPOLBALDH1A1LMNAATM
SCHEMBL5252685 0.85 HTT (0.47) HTTPOLBALDH1A1LMNAATM
SCHEMBL5260370 0.82 HTT (0.41) HTTPOLBALDH1A1LMNAKMT2A
SCHEMBL5260367 0.82 HTT (0.41) HTTPOLBALDH1A1LMNAKMT2A
SCHEMBL2205696 0.81 POLB (0.40) HTTPOLBALDH1A1LMNAATM
SCHEMBL2205699 0.81 POLB (0.40) HTTPOLBALDH1A1LMNAATM
SCHEMBL5261219 0.81 LTA4H (0.35) HTTPOLBHPGDLTA4HICAM1
SCHEMBL5261223 0.81 LTA4H (0.35) HTTPOLBHPGDLTA4HICAM1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP claimed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US claimed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US claimed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP claimed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO claimed
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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 (2 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 HTT 2139/4885POLB 1032/4885ALDH1A1 3787/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH HTT 2098/4885POLB 822/4885ALDH1A1 3931/4885

“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.