SCHEMBL5236587

SCHEMBL5236587

CCCCOc1c(N(C)C(=O)O)n(C2CC2)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.34
THRA P10827 5/20 0.34
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
HTR3E A5X5Y0 2/20 0.32
HTR3B O95264 2/20 0.32
HTR3A P46098 2/20 0.32
HTR3D Q70Z44 2/20 0.32
HTR3C Q8WXA8 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
S1PR5 Q9H228 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL5234366 0.84 ALDH1A1 (0.33) THRBTHRAALDH1A1HTTSMN1; SMN2
SCHEMBL5234325 0.84 THRB (0.37) THRBTHRAALDH1A1HTTHTR3E
SCHEMBL5234473 0.84 THRB (0.37) THRBTHRAMEN1KMT2AKDM4E
SCHEMBL5234729 0.81 THRB (0.36) THRBTHRAKDM4E
SCHEMBL5235017 0.80 THRA (0.34) THRBTHRAALDH1A1HTTKMT2A
SCHEMBL6108547 0.79 THRB (0.31) THRBTHRATP53MAPTSMN1; SMN2
SCHEMBL5238594 0.79 ALDH1A1 (0.34) THRBTHRAALDH1A1HTTHTR3E
SCHEMBL5236981 0.79 THRB (0.34) THRBTHRAALDH1A1SMN1; SMN2KDM4E
SCHEMBL5236583 0.79 THRA (0.34) THRBTHRAALDH1A1HTTHTR3E
SCHEMBL5236301 0.79 ALDH1A1 (0.42) THRBTHRAALDH1A1HTTMEN1

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 THRB 1540/4885THRA 1886/4885ALDH1A1 387/4885

“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.