SCHEMBL4589188

SCHEMBL4589188

CNc1c(I)c(C(=O)O)c(I)c(C(=O)N(CCN)CCN)c1I

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4589181 0.89 LIMK1 (0.32)
SCHEMBL4589208 0.84 LMNA (0.36) LMNASMN1; SMN2
SCHEMBL5555286 0.84 TSHR (0.38) LMNASMN1; SMN2TSHRMAPK1
SCHEMBL4588549 0.81
SCHEMBL5555241 0.80 LMNA (0.38) LMNASMN1; SMN2TSHRMAPK1
SCHEMBL9009368 0.80 LMNA (0.43) LMNASMN1; SMN2TSHRMAPK1
Hydrochloric Acid SCHEMBL4589564 0.78 LMNA (0.42) LMNASMN1; SMN2TSHRMAPK1
SCHEMBL5551351 0.75
SCHEMBL4589205 0.73
SCHEMBL5555274 0.73 LMNA (0.34) LMNATSHRMAPK1

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 2174/4885SMN1; SMN2 4294/4885TSHR 46/4885

“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.