SCHEMBL4293840

SCHEMBL4293840

Nc1sc(-c2ccccc2)nc1C(=O)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.58
ACACA Q13085 7/20 0.58
CNR1 P21554 1/20 0.46
ADRA1A P35348 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRM3 P20309 1/20 0.41
GAA P10253 2/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CD O00329 3/20 0.40
PIK3R2 O00459 3/20 0.40
PIK3CA P42336 3/20 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
SCHEMBL4298776 0.88 ACACB (0.54) ACACBACACACNR1ADRA1AHRH3
SCHEMBL13980065 0.83 ACACB (0.49) ACACBACACAADRA1AMEN1KMT2A
SCHEMBL4294116 0.82 ACACB (0.51) ACACBACACACNR1
SCHEMBL4298592 0.81 ACACB (0.59) ACACBACACAADRA1AMEN1KMT2A
SCHEMBL977472 0.79 ACACB (0.71) ACACBACACA
SCHEMBL6183609 0.79 ACACB (0.71) ACACBACACAALDH1A1LMNA
SCHEMBL6182411 0.78 ACACB (0.66) ACACBACACAADRA1AMEN1KMT2A
SCHEMBL4295709 0.78 ACACB (0.69) ACACBACACAADRA1AMEN1KMT2A
SCHEMBL6184472 0.76 ACACB (0.78) ACACBACACA
SCHEMBL4294112 0.75 CHEK1 (0.56) ACACBACACAMEN1KMT2A

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-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

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 12/4885CNR1 2087/4885

“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.