SCHEMBL3794652

SCHEMBL3794652

O=C(O)NCCCN1C(=O)C=CC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.56
▸ FAAH O00519 4/20 0.56
▸ PTGS1 P23219 7/20 0.55
▸ PTGS2 P35354 7/20 0.55
▸ HSP90AA1 P07900 1/20 0.54
▸ TLR9 Q9NR96 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ XBP1 P17861 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ GPR35 Q9HC97 1/20 0.54

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
SCHEMBL12021061 0.93 MGLL (0.61) MGLLFAAHPTGS1PTGS2HSP90AA1
SCHEMBL16095854 0.93 MGLL (0.61) MGLLFAAHPTGS1PTGS2HSP90AA1
SCHEMBL18919435 0.90 PTGS1 (0.49) MGLLFAAHPTGS1PTGS2HSP90AA1
SCHEMBL16096215 0.88 PTGS1 (0.48) MGLLFAAHPTGS1PTGS2HSP90AA1
SCHEMBL3270615 0.85 MGLL (0.56) MGLLFAAHPTGS1PTGS2HSP90AA1
SCHEMBL17841910 0.82 PTGS1 (0.61) MGLLFAAHPTGS1PTGS2HSP90AA1
SCHEMBL12203264 0.80 MGLL (0.50) MGLLFAAHPTGS1PTGS2HSP90AA1
SCHEMBL20575000 0.80 PTGS1 (0.46) MGLLFAAHPTGS1PTGS2HSP90AA1
SCHEMBL13310414 0.80 MGLL (0.50) MGLLFAAHPTGS1PTGS2HSP90AA1
SCHEMBL29444954 0.80 NPC1 (0.55) MGLLFAAHALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024116053-A1 PCTA DERIVATIVES, CONJUGATES THEREOF AND USES THEREOF NOVARTIS AG (CH) 2024-06-06 — — WO disclosed
US-20220054658-A1 CONJUGATES TRANSFECTION HOLDINGS LIMITED (NZ) 2022-02-24 — — US disclosed
EP-3897737-A1 CONJUGATES Transfection Holdings Limited (NZ) 2021-10-27 — — EP disclosed
WO-2020127602-A1 CONJUGATES TRANSFECTION HOLDINGS LIMITED (NZ) 2020-06-25 — — WO disclosed
US-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET. 2010-11-25 — — US disclosed
US-7780953-B2 Compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2010-08-24 — — US disclosed
EP-1572246-B1 NOVEL COMPOSITIONS OF MAGNETIC PARTICLES COVERED WITH GEM-BISPHOSPHONATE DERIVATIVES GUERBET SA (FR) 2009-02-25 — — EP disclosed
US-20040253181-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2004-12-16 — — 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-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives PHOSPHO1, SGMS2, PTEN MGLL 663/4885FAAH 675/4885PTGS1 1492/4885
US-20220054658-A1 CONJUGATES RTN3, RER1, HRH4 MGLL 2455/4885FAAH 1195/4885PTGS1 3391/4885

“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.

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