SCHEMBL5235017

SCHEMBL5235017

CCCCOc1c(N(C)C(=O)O)n(CC(C)C)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.34
THRB P10828 5/20 0.34
DPP4 P27487 4/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.32
PDE5A O76074 1/20 0.32
KMT2A Q03164 2/20 0.32
RECQL P46063 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5232392 0.97 THRB (0.36) THRATHRBDPP4ALDH1A1POLB
SCHEMBL5238218 0.91 ALDH1A1 (0.33) THRATHRBALDH1A1HTT
SCHEMBL5236301 0.86 ALDH1A1 (0.42) THRATHRBALDH1A1POLBKMT2A
SCHEMBL5236981 0.86 THRB (0.34) THRATHRBALDH1A1POLBKDM4E
SCHEMBL5234729 0.86 THRB (0.36) THRATHRBKDM4E
SCHEMBL5238562 0.85 MAPK8 (0.39) ALDH1A1KMT2AKDM4ETSHR
SCHEMBL5237505 0.85 DPP4 (0.44) DPP4ALDH1A1KMT2AKDM4ETSHR
SCHEMBL5234366 0.85 ALDH1A1 (0.33) THRATHRBALDH1A1KDM4EHTT
SCHEMBL5237435 0.85 DPP4 (0.38) DPP4ALDH1A1KMT2AKDM4ETSHR
SCHEMBL5236379 0.85 DPP4 (0.43) THRATHRBDPP4ALDH1A1KMT2A

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 THRA 1886/4885THRB 1540/4885DPP4 2/4885

“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.