Iodide

Iodide

SCHEMBL3581559

CC(C)C[C@H](NC(=N)c1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@H]1CCOC1O.I

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 20/20 0.84
CAPNS1 P04632 16/20 0.81

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
SCHEMBL3585919 0.99 CAPN1 (0.85) CAPN1CAPNS1
Hydrochloric Acid SCHEMBL4534074 0.98 CAPN1 (0.84) CAPN1CAPNS1
SCHEMBL5678209 0.91 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL4533641 0.91 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL4534922 0.91 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL4536458 0.91 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL4535870 0.91 CAPN1 (1.00) CAPN1CAPNS1
Iodide SCHEMBL3590734 0.90 CAPN1 (0.72) CAPN1CAPNS1
SCHEMBL4621427 0.90 CAPN1 (1.00) CAPN1CAPNS1
SCHEMBL4621806 0.90 CAPN1 (1.00) CAPN1CAPNS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642591-B2 Composition containing amidine derivatives or carboxamide derivatives and steroids, as a medicament IPSEN PHARMA S.A.S. (FR) 2014-02-04 US disclosed
US-7659266-B2 Amidine derivatives and their applications as a medicament S.C.R.A.S. (FR) 2010-02-09 US disclosed
US-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2009-01-15 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-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT CAPN2, CAPN9, CAPN1 CAPN1 3/4885CAPNS1 4/4885

“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.