SCHEMBL21175008

SCHEMBL21175008

O=C(NCC1CCOCC1)c1cc(=O)c2ccccc2o1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
MAOB P27338 3/20 0.57
ACHE P22303 3/20 0.57
BCHE P06276 1/20 0.57
METTL3 Q86U44 5/20 0.54
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
CSNK2A2 P19784 1/20 0.51
PTGS1 P23219 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51
MAOA P21397 1/20 0.51
RECQL P46063 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
METTL14 Q9HCE5 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL21174951 0.90 LMNA (0.66) LMNAMAOBACHEBCHEMETTL3
SCHEMBL19743761 0.89 METTL3 (0.65) LMNAMAOBACHEBCHEMETTL3
SCHEMBL29986215 0.89 METTL3 (0.65) LMNAMAOBACHEBCHEMETTL3
SCHEMBL21174996 0.87 LMNA (0.62) LMNAMAOBACHEBCHEMETTL3
SCHEMBL21174960 0.86 LMNA (0.60) LMNAMAOBACHEBCHEMETTL3
SCHEMBL19744266 0.81 RAB9A (0.73) LMNAHTTKDM4ENPC1RAB9A
SCHEMBL19744273 0.80 RAB9A (0.68) LMNAMAOBACHEBCHEHTT
SCHEMBL30224961 0.80 RAB9A (0.68) LMNAMAOBACHEBCHEHTT
SCHEMBL21174991 0.80 ACHE (0.74) LMNAMAOBACHEBCHEMETTL3
SCHEMBL28997464 0.79 ACHE (0.72) LMNAMAOBACHEBCHEMETTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641864-B Anti-infective agents 邓迪大学 2023-04-04 CN disclosed
US-11485720-B2 Anti-infective agents UNIVERSITY OF DUNDEE (GB) 2022-11-01 US disclosed
EP-3472141-B1 ANTI-INFECTIVE AGENTS UNIV DUNDEE (GB) 2022-10-05 EP disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 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 (3 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-11485720-B2 Anti-infective agents C1R, RRS1, ARG1 LMNA 2536/4885MAOB 2696/4885ACHE 2293/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 LMNA 2536/4885MAOB 2696/4885ACHE 2293/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 LMNA 2610/4885MAOB 2283/4885ACHE 1974/4885

“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.