SCHEMBL4289525

SCHEMBL4289525

COc1cccc2c(C(=O)N3CCC(N4CCCC(C(=O)N5CCCCC5)C4)CC3)c(N)sc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.52
ACACA Q13085 9/20 0.52
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK1 P28482 1/20 0.42

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
SCHEMBL4289542 0.86 ACACB (0.67) ACACBACACA
SCHEMBL4296840 0.84 ACACB (0.68) ACACBACACA
SCHEMBL4305724 0.83 ACACB (0.56) ACACBACACAMAPK1
SCHEMBL4294128 0.83 ACACB (0.52) ACACBACACAKDM4EALDH1A1MEN1
SCHEMBL4296845 0.82 ACACB (0.57) ACACBACACAMAPK1
SCHEMBL976349 0.76 ACACB (0.83) ACACBACACA
SCHEMBL2622325 0.76 ACACB (0.83) ACACBACACA
SCHEMBL4295709 0.76 ACACB (0.69) ACACBACACAKDM4EALDH1A1MEN1
SCHEMBL6183505 0.75 ACACB (0.84) ACACBACACA
SCHEMBL4298140 0.73 ACACB (0.56) 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 12/4885KDM4E 1496/4885

“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.