Iodide

Iodide

SCHEMBL4455366

CC[n+]1cccc(N(C(C)=O)n2c(=O)n(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(Cl)cc32)c1.[I-]

nearest known ligand 0.38

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 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.38
NOD2 Q9HC29 1/20 0.38
CMA1 P23946 1/20 0.36
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
HPGD P15428 2/20 0.35
ALDH3A1 P30838 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 3/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
PPARG P37231 4/20 0.32

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
Iodide SCHEMBL7469544 0.96 LMNA (0.37) NOD1NOD2CMA1PSEN1PSEN2
Iodide SCHEMBL7467982 0.94 PPARG (0.39) NOD1NOD2PSEN1PSEN2APH1B
Bromide SCHEMBL7469454 0.90 PSEN1 (0.38) NOD1NOD2CMA1PSEN1PSEN2
Iodide SCHEMBL7466546 0.90 MAT2A (0.34) HTTLMNAAPOBEC3AAPOBEC3GPTGDR2
Iodide SCHEMBL7462206 0.89 CMA1 (0.38) NOD1NOD2CMA1PSEN1PSEN2
Bromide SCHEMBL4450841 0.86 PSEN1 (0.35) NOD1NOD2CMA1PSEN1PSEN2
SCHEMBL8784743 0.86 ALDH3A1 (0.43) NOD1NOD2CMA1PSEN1PSEN2
SCHEMBL7472829 0.84 CMA1 (0.45) NOD1NOD2CMA1PSEN1PSEN2
Iodide SCHEMBL7464172 0.84 GAA (0.35) NOD1NOD2HPGDKDM4EALDH1A1
SCHEMBL7460693 0.84 CMA1 (0.40) NOD1NOD2CMA1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 US disclosed
US-20040086537-A1 Prophylactic or threapeutic composition for ocular circulation disorders INOUE JUN (JP) 2004-05-06 US disclosed
EP-1224945-A1 TENSION-RELIEVING AGENTS FOR CILIARY MUSCLE Senju Pharmaceutical Co., Ltd. (JP) 2002-07-24 EP disclosed
EP-0795548-B1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LTD (JP) 2002-07-03 EP disclosed
EP-1112749-A2 PREVENTIVES OR REMEDIES FOR EYE CIRCULATORY FAILURE Senju Pharmaceutical Co., Ltd. (JP) 2001-07-04 EP disclosed
US-5814631-A CHYMASE INHIBITOR, CARDIVASCULAR SUNTORY LIMITED (JP) 1998-09-29 US disclosed
EP-0795548-A1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LIMITED (JP) 1997-09-17 EP 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 (2 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-20040086537-A1 Prophylactic or threapeutic composition for ocular circulation disorders CMA1, THOP1, TPSAB1 NOD1 4718/4885NOD2 4751/4885CMA1 1/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR NOD1 3107/4885NOD2 288/4885CMA1 313/4885

“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.