SCHEMBL5555286

SCHEMBL5555286

NCCN(CCN)C(=O)c1c(I)c(NC(=O)CN)c(I)c(C(=O)O)c1I

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5555274 0.90 LMNA (0.34) TSHRMAPK1LMNA
SCHEMBL11387512 0.86 TSHR (0.47) TSHRMAPK1LMNASMN1; SMN2
SCHEMBL4589188 0.84 LMNA (0.38) TSHRMAPK1LMNASMN1; SMN2
SCHEMBL9009268 0.83 LMNA (0.36) TSHRMAPK1LMNA
SCHEMBL5555241 0.82 LMNA (0.38) TSHRMAPK1LMNASMN1; SMN2
SCHEMBL4588549 0.80
SCHEMBL11147542 0.78 TSHR (0.42) TSHRMAPK1LMNASMN1; SMN2
SCHEMBL4589208 0.77 LMNA (0.36) LMNASMN1; SMN2
SCHEMBL8610051 0.76 LMNA (0.42) TSHRMAPK1LMNASMN1; SMN2
SCHEMBL11588043 0.75 LMNA (0.59) TSHRMAPK1LMNASMN1; 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-7208140-B2 Trimeric macrocyclic substituted benzene derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2007-04-24 US disclosed
US-20040265236-A1 Trimeric macrocyclic substituted benzene derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-12-30 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-20040265236-A1 Trimeric macrocyclic substituted benzene derivatives BET1, TTI1, BRI3BP TSHR 147/4885MAPK1 922/4885LMNA 3086/4885

“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.