Iodide

Iodide

SCHEMBL2188409

CC(C)(CC[N+]1(C)CCCCC1)NC(=O)OCc1ccccc1.[I-]

nearest known ligand 0.45

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
CHRM1 known ✓ P11229 1/20 0.43
CHRM3 known ✓ P20309 1/20 0.43
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
APOBEC3A P31941 3/20 0.45
APOBEC3G Q9HC16 3/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
HTT P42858 1/20 0.41
CTSS P25774 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL12852925 0.99 KMT2A (0.44) ALDH1A1KMT2AHPGDAPOBEC3AAPOBEC3G
Iodide SCHEMBL2189547 0.99 KMT2A (0.44) ALDH1A1KMT2AHPGDAPOBEC3AAPOBEC3G
SCHEMBL12852863 0.99 KMT2A (0.44) ALDH1A1KMT2AHPGDAPOBEC3AAPOBEC3G
Hydrochloric Acid SCHEMBL3249113 0.98 KMT2A (0.44) ALDH1A1KMT2AHPGDAPOBEC3AAPOBEC3G
SCHEMBL12852934 0.98 KMT2A (0.45) ALDH1A1KMT2AHPGDAPOBEC3AAPOBEC3G
SCHEMBL12852918 0.88 MEN1 (0.44) ALDH1A1KMT2AAPOBEC3AAPOBEC3GMAPT
Iodide SCHEMBL2213527 0.88 SMN1; SMN2 (0.41) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL2185842 0.87 MEN1 (0.43) KMT2AAPOBEC3AAPOBEC3GMAPTSMN1; SMN2
SCHEMBL12852923 0.86 SMN1; SMN2 (0.42) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
Iodide SCHEMBL2188646 0.86 APOBEC3A (0.48) ALDH1A1KMT2AHPGDAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341886-B1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
US-8278482-B2 Antimicrobial N-chlorinated compositions NOVABAY PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
EP-2341886-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NovaBay Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
US-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. 2010-06-24 US disclosed
WO-2010054269-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. (US) 2010-05-14 WO 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-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NRDC, NHERF1, MPO CHRM1 2884/4885CHRM3 2781/4885ALDH1A1 3343/4885

“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.