SCHEMBL4589957

SCHEMBL4589957

O=C(CBr)NCCN(CCNC(=O)CBr)C(=O)c1c(I)c(NC(=O)CBr)c(I)c(C(=O)O)c1I

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4589954 0.90 LMNA (0.32) LMNA
SCHEMBL4588304 0.85 TSHR (0.30) TSHRMAPK1
SCHEMBL4589208 0.78 LMNA (0.36) LMNASMN1; SMN2
SCHEMBL4590109 0.76 LMNA (0.38) LMNASMN1; SMN2
SCHEMBL4588298 0.75
SCHEMBL5555241 0.72 LMNA (0.38) LMNATSHRMAPK1SMN1; SMN2
SCHEMBL22645201 0.70 TSHR (0.46) LMNATSHRMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL11394886 0.69 TSHR (0.45) LMNATSHRMAPK1SMN1; SMN2
SCHEMBL4589205 0.68
SCHEMBL11399810 0.68 TSHR (0.35) LMNATSHRMAPK1SMN1; SMN2

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-7385054-B2 Trimeric, macrocyclically substituted halo-benzene derivatives SCHERING AG (DE) 2008-06-10 US disclosed
US-20060154989-A1 Trimeric, macrocyclically substituted halo-benzene derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 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-20060154989-A1 Trimeric, macrocyclically substituted halo-benzene derivatives BOLA2; BOLA2B, BRI3BP, ARRB1 LMNA 2174/4885TSHR 46/4885MAPK1 1882/4885

“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.