SCHEMBL5635997

SCHEMBL5635997

NC1CCC(C(=O)Nc2ccnc3ccc(OCCCNC(=O)OCc4ccccc4)nc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
ANPEP P15144 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
STING1 Q86WV6 1/20 0.36
TSHR P16473 1/20 0.36
TGM2 P21980 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KEAP1 Q14145 3/20 0.36
NFE2L2 Q16236 3/20 0.36
DNMT1 P26358 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5634581 0.86 KCNH2 (0.41) KCNH2L3MBTL1MAPTTSHRMEN1
SCHEMBL5263867 0.82 KCNH2 (0.56) KCNH2
SCHEMBL5264264 0.80 HTT (0.48) ANPEPL3MBTL1MAPTHTTLMNA
SCHEMBL5656548 0.73 SMN1; SMN2 (0.56) KCNH2MAPTHTTSMN1; SMN2
SCHEMBL5258114 0.67 L3MBTL1 (0.53) ANPEPL3MBTL1MAPTHTTLMNA
SCHEMBL8141332 0.67 ROCK2 (0.52) TGM2ALDH1A1GAA
SCHEMBL8141329 0.67 ROCK2 (0.52) TGM2ALDH1A1GAA
SCHEMBL3414664 0.67 POLB (0.56) ANPEPHTTLMNASMN1; SMN2TGM2
SCHEMBL590583 0.66 CTSK (0.44)
SCHEMBL8136678 0.66 PIK3CD (0.43) TGM2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KCNH2 3311/4885ANPEP 497/4885L3MBTL1 963/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH KCNH2 2699/4885ANPEP 633/4885L3MBTL1 1467/4885

“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.