SCHEMBL4299591

SCHEMBL4299591

O=C(O)Nc1sc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
ACACA Q13085 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MCHR1 Q99705 2/20 0.42
CHEK1 O14757 3/20 0.41
ABCC1 P33527 1/20 0.41
EPHX2 P34913 6/20 0.40
CDK2AP1 O14519 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ADRA1A P35348 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 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
SCHEMBL4293983 0.90 ACACB (0.57) ACACBACACAMEN1KMT2ACHEK1
SCHEMBL4295251 0.90 ACACB (0.45) ACACBACACAMEN1KMT2AMCHR1
SCHEMBL13609473 0.90 ACACB (0.45) ACACBACACAMEN1KMT2AMCHR1
SCHEMBL4297088 0.88 ACACB (0.51) ACACBACACAMEN1KMT2AMCHR1
SCHEMBL4294112 0.84 CHEK1 (0.56) ACACBACACAMEN1KMT2ACHEK1
SCHEMBL4297323 0.83 ACACB (0.54) ACACBACACAMEN1KMT2AEPHX2
SCHEMBL13609471 0.81 ACACB (0.51) ACACBACACAMEN1KMT2ACHEK1
SCHEMBL4294377 0.81 ACACB (0.52) ACACBACACAMEN1KMT2ACHEK1
SCHEMBL4298592 0.79 ACACB (0.59) ACACBACACAMEN1KMT2AABCC1
SCHEMBL6183549 0.78 ACACB (0.53) ACACBACACAMEN1KMT2AKDM4E

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.