SCHEMBL4296845

SCHEMBL4296845

Nc1sc2ccccc2c1C(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.57
ACACA Q13085 11/20 0.57
L3MBTL3 Q96JM7 6/20 0.46
L3MBTL1 Q9Y468 6/20 0.46
TP53BP1 Q12888 2/20 0.46
MBTD1 Q05BQ5 1/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL4305724 0.99 ACACB (0.56) ACACBACACAL3MBTL3L3MBTL1TP53BP1
SCHEMBL4295709 0.92 ACACB (0.69) ACACBACACAL3MBTL3L3MBTL1TP53BP1
SCHEMBL4298140 0.88 ACACB (0.56) ACACBACACA
SCHEMBL4292053 0.84 ACACB (0.69) ACACBACACA
SCHEMBL4289525 0.82 ACACB (0.52) ACACBACACAMAPK1
SCHEMBL13980048 0.82 ACACB (0.54) ACACBACACA
SCHEMBL4289538 0.80 ACACB (0.80) ACACBACACA
SCHEMBL6183505 0.80 ACACB (0.84) ACACBACACAL3MBTL3L3MBTL1TP53BP1
SCHEMBL13969593 0.80 HPGD (0.54) ACACBMAPK1
SCHEMBL4298078 0.80 ACACB (0.82) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
EP-2009011-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-12-31 EP disclosed
EP-2009011-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-12-31 EP 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-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TNNC1, CPT1B, TNNI3 ACACB 23/4885ACACA 12/4885L3MBTL3 1674/4885

“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.