SCHEMBL4290207

SCHEMBL4290207

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.55
ACACA Q13085 1/20 0.55
HPGD P15428 1/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
L3MBTL3 Q96JM7 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
CCR5 P51681 3/20 0.37
KCNH2 Q12809 2/20 0.37
TP53BP1 Q12888 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL4289630 0.85 ACACB (0.60) ACACBACACAHPGDKDM4EALDH1A1
SCHEMBL4662997 0.83 ACACB (0.57) ACACBACACAHPGDKDM4EALDH1A1
SCHEMBL4302569 0.82 CHEK1 (0.57) ACACBACACAHPGD
SCHEMBL13609469 0.82 ACACB (0.52) ACACBACACAHPGDKDM4EALDH1A1
SCHEMBL4297853 0.80 ACACB (0.54) ACACBACACAHPGD
SCHEMBL3498972 0.76 ACACB (0.54) ACACBACACAMEN1KMT2A
SCHEMBL3497357 0.75 ACACB (0.58) ACACBACACA
SCHEMBL6184046 0.74 ACACB (0.66) ACACBACACAKDM4EALDH1A1POLB
SCHEMBL6184710 0.74 ACACB (0.66) ACACBACACA
SCHEMBL6183974 0.74 ACACB (0.78) ACACBACACAHPGDKDM4EALDH1A1

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
WO-2009096435-A1 CONDENSED HETEROCYCLIC DERIVATIVES AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-06 WO 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.