SCHEMBL5264264

SCHEMBL5264264

Nc1ccnc2ccc(OCCCNC(=O)OCc3ccccc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ANPEP P15144 1/20 0.45
TGM2 P21980 1/20 0.44
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
STING1 Q86WV6 2/20 0.41
BRD4 O60885 2/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A1 P43005 1/20 0.40
FOLH1 Q04609 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL5258114 0.82 L3MBTL1 (0.53) HTTL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL5656835 0.80 CA12 (0.49) L3MBTL1BRD4POLB
SCHEMBL5635997 0.80 KCNH2 (0.40) HTTL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL5116844 0.72 HTT (0.68) HTTL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL18254066 0.71 HTT (0.81) HTTL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL27670555 0.71 HTT (0.67) HTTL3MBTL1MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL10558452 0.71 HTT (0.67) HTTL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL3811564 0.71 L3MBTL1 (0.80) HTTL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL17532634 0.71 LMNA (0.79) HTTL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL9874334 0.70 HTT (0.79) HTTL3MBTL1MAPTLMNASMN1; SMN2

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 6 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 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 2139/4885L3MBTL1 963/4885MAPT 4478/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH HTT 2098/4885L3MBTL1 1467/4885MAPT 4694/4885

“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.