SCHEMBL3507461

SCHEMBL3507461

O=C(O)NCCOC(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ HTT P42858 2/20 0.52
▸ LMNA P02545 1/20 0.50
▸ SLC1A1 P43005 1/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ FOLH1 Q04609 1/20 0.42
▸ ASAH1 Q13510 1/20 0.41
▸ TAOK1 Q7L7X3 1/20 0.40
▸ TAOK3 Q9H2K8 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PLA2G10 O15496 1/20 0.40
▸ PLA2G2A P14555 1/20 0.40

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
SCHEMBL3509597 0.95 SMN1; SMN2 (0.48) SMN1; SMN2HTTLMNASLC1A1CA1
SCHEMBL3506453 0.93 SMN1; SMN2 (0.49) SMN1; SMN2HTTLMNASLC1A1CA1
SCHEMBL4769824 0.82 SMN1; SMN2 (0.67) SMN1; SMN2HTTLMNAALDH1A1L3MBTL1
SCHEMBL3510726 0.78 CA1 (0.50) HTTSLC1A1CA1CA2CA7
SCHEMBL19839625 0.78 TLR2 (0.57) PLA2G10PLA2G2A
SCHEMBL25876429 0.78 FOLH1 (0.49) SMN1; SMN2HTTSLC1A1CA1CA2
SCHEMBL3510751 0.77 SMN1; SMN2 (0.51) SMN1; SMN2HTTLMNASLC1A1ALDH1A1
SCHEMBL3508948 0.77 SMN1; SMN2 (0.62) SMN1; SMN2HTTLMNAALDH1A1L3MBTL1
SCHEMBL31078034 0.76 SLC1A1 (0.49) SLC1A1CA1CA2CA7CA9
SCHEMBL21070867 0.76 SMN1; SMN2 (0.60) SMN1; SMN2HTTLMNAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 974/4885HTT 2877/4885LMNA 2664/4885

“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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