SCHEMBL3508948

SCHEMBL3508948

O=C(O)NCCOCCCOCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ LMNA P02545 1/20 0.62
▸ HTT P42858 2/20 0.60
▸ ASAH1 Q13510 1/20 0.49
▸ EPHX2 P34913 2/20 0.48
▸ NAAA Q02083 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ TSHR P16473 1/20 0.44
▸ TEAD3 Q99594 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL17162119 0.98 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHTTASAH1EPHX2
SCHEMBL4769824 0.93 SMN1; SMN2 (0.67) SMN1; SMN2LMNAHTTASAH1L3MBTL1
SCHEMBL21070867 0.89 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHTTASAH1EPHX2
SCHEMBL21069431 0.88 EPHX2 (0.61) SMN1; SMN2LMNAHTTEPHX2L3MBTL1
SCHEMBL21071040 0.88 EPHX2 (0.61) SMN1; SMN2LMNAHTTEPHX2L3MBTL1
SCHEMBL29025356 0.87 EPHX2 (0.57) SMN1; SMN2LMNAHTTEPHX2L3MBTL1
SCHEMBL20819322 0.84 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTASAH1EPHX2
SCHEMBL30316999 0.82 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHTTNAAAL3MBTL1
SCHEMBL23043307 0.81 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTASAH1
SCHEMBL30159248 0.81 SMN1; SMN2 (0.66) SMN1; SMN2LMNAHTTNAAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230097678-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2023-03-30 — — US disclosed
EP-4110776-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2023-01-04 — — EP disclosed
CN-115151538-A Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-10-04 — — CN disclosed
US-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 — — 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-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND NR0B2, NR0B1, NR4A3 SMN1; SMN2 974/4885LMNA 2664/4885HTT 2877/4885
US-20230097678-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1S, C1R, F12 SMN1; SMN2 3435/4885LMNA 1022/4885HTT 2921/4885

“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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