SCHEMBL4297323

SCHEMBL4297323

O=C(O)Nc1sc(Br)cc1C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.54
ACACA Q13085 1/20 0.54
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ADRA1A P35348 4/20 0.44
L3MBTL3 Q96JM7 6/20 0.40
L3MBTL1 Q9Y468 6/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
MBTD1 Q05BQ5 1/20 0.38
TP53BP1 Q12888 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL13609472 0.87 ACACB (0.49) ACACBACACAMEN1KMT2AADRA1A
SCHEMBL4293983 0.86 ACACB (0.57) ACACBACACAMEN1KMT2AADRA1A
SCHEMBL4299591 0.83 ACACB (0.49) ACACBACACAMEN1KMT2AADRA1A
SCHEMBL4294112 0.79 CHEK1 (0.56) ACACBACACAMEN1KMT2A
SCHEMBL4305648 0.78 ACACB (0.52) ACACBACACAMEN1KMT2AADRA1A
SCHEMBL4294377 0.76 ACACB (0.52) ACACBACACAMEN1KMT2A
SCHEMBL13609471 0.75 ACACB (0.51) ACACBACACAMEN1KMT2AADRA1A
SCHEMBL4298592 0.75 ACACB (0.59) ACACBACACAMEN1KMT2AADRA1A
SCHEMBL13609473 0.73 ACACB (0.45) ACACBACACAMEN1KMT2AADRA1A
SCHEMBL4295251 0.73 ACACB (0.45) ACACBACACAMEN1KMT2AEPHX2

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 2 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
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 12/4885MEN1 2856/4885

“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.