Iodide

Iodide

SCHEMBL4010790

I.NNC(N)=NCCCN1CCCCC1

nearest known ligand 0.54

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 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
SIGMAR1 Q99720 8/20 0.49
HRH3 Q9Y5N1 2/20 0.49
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2905192 0.98 LMNA (0.52) LMNASIGMAR1HRH3MAPTALDH1A1
Iodide SCHEMBL4008478 0.98 SIGMAR1 (0.50) LMNASIGMAR1HRH3MAPT
SCHEMBL2905469 0.96 SIGMAR1 (0.51) LMNASIGMAR1HRH3MAPT
SCHEMBL10594659 0.89 SIGMAR1 (0.43) LMNASIGMAR1HRH3
SCHEMBL9290957 0.87 LMNA (0.66) LMNASIGMAR1HRH3MAPTALDH1A1
Bromide SCHEMBL10340648 0.87 SIGMAR1 (0.43) LMNASIGMAR1HRH3
SCHEMBL9290790 0.87 LMNA (0.66) LMNASIGMAR1HRH3MAPTALDH1A1
SCHEMBL9290890 0.87 LMNA (0.66) LMNASIGMAR1HRH3MAPTALDH1A1
SCHEMBL9290829 0.85 LMNA (0.62) LMNASIGMAR1HRH3MAPTALDH1A1
SCHEMBL5924357 0.83 SIGMAR1 (0.40) LMNASIGMAR1HRH3

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-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 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-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF CYP11B2, IL5, TBXA2R LMNA 3882/4885SIGMAR1 511/4885HRH3 245/4885

“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.