SCHEMBL4289630

SCHEMBL4289630

CCN(CC)C(=O)C1CCCN(C2CCN(C(=O)c3cc(-c4ccccc4)sc3N)CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.60
ACACA Q13085 1/20 0.60
HPGD P15428 3/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
L3MBTL3 Q96JM7 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53BP1 Q12888 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NAMPT P43490 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
SCHEMBL4302569 0.88 CHEK1 (0.57) ACACBACACAHPGD
SCHEMBL4662997 0.87 ACACB (0.57) ACACBACACAHPGDKDM4EALDH1A1
SCHEMBL4290207 0.85 ACACB (0.55) ACACBACACAHPGDKDM4EALDH1A1
SCHEMBL4297853 0.84 ACACB (0.54) ACACBACACAHPGD
SCHEMBL13609469 0.82 ACACB (0.52) ACACBACACAHPGDKDM4EALDH1A1
SCHEMBL4298592 0.81 ACACB (0.59) ACACBACACAHPGDKDM4EALDH1A1
SCHEMBL4292053 0.79 ACACB (0.69) ACACBACACAHPGDKDM4ELMNA
SCHEMBL6184046 0.78 ACACB (0.66) ACACBACACAKDM4EALDH1A1POLB
SCHEMBL6183974 0.78 ACACB (0.78) ACACBACACAHPGDKDM4EALDH1A1
SCHEMBL6184710 0.78 ACACB (0.66) 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 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 12/4885HPGD 595/4885

“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.