Iodide

Iodide

SCHEMBL1750930

Cc1cc[n+](C(C)C)cc1.[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 11)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.37
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CHRNA7 P36544 1/20 0.33
CHKA P35790 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 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
SCHEMBL5308509 0.97 ACHE (0.39) HTTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL16183106 0.77 NFE2L2 (0.48) KDM4EALDH1A1SMN1; SMN2
SCHEMBL22953081 0.77 SLC22A2 (0.38) HTTLMNAKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3381181 0.74 PABPC1 (0.37) HTTLMNAKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9358685 0.74 HTT (0.40) HTTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL5325200 0.72 TYR (0.37) HTTLMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL20507847 0.72 HTT (0.35) HTTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1171636 0.70 KDM4E (0.38) HTTLMNAKDM4EALDH1A1SMN1; SMN2
Iodide SCHEMBL9334776 0.70 KCNN2 (0.34) CHRNA7CHKA
SCHEMBL5287705 0.70 TP53 (0.43) LMNAALDH1A1SMN1; SMN2TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420637-B2 Abnormal cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2013-04-16 US disclosed
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2011-11-03 US disclosed
US-7968711-B2 Isoprenyl-3-methylcyclohex-2-enyl)benzene-1,3-diol, 2-(3,5-Difluorophenyl)-5-hydroxypyridazin-3-one, 4-Bromo-2-(2,5-dichlorophenyl)-5-hydroxypyridazin-3-one; glaucoma or ocular hypertension ALLERGAN, INC. (US) 2011-06-28 US disclosed
US-7718830-B2 Abnormal cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2010-05-18 US disclosed
US-20100010027-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2010-01-14 US disclosed
EP-2123264-A1 Heterocyclic derivatives as abnormal cannabidiols agents for lowering intraocular pressure Allergan, Inc. (US) 2009-11-25 EP disclosed
US-7618966-B2 Abnormal Cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2009-11-17 US disclosed
US-7612101-B2 Abnormal cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2009-11-03 US disclosed
EP-2010165-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2009-01-07 EP disclosed
WO-2007127711-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2007-11-08 WO disclosed
US-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2007-10-25 US disclosed
US-20070249731-A1 Abnormal cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. 2007-10-25 US disclosed
US-20070249581-A1 Abnormal Cannabidiols as agents for lowering intraocular pressure ALLERGAN, INC. 2007-10-25 US disclosed
US-20070249602-A1 4-(1-isopropyl-4-methyl-1,2,5,6-tetra-hydropyridin-2-yl)-5-methylbenzene- 1,3-diol; glaucoma or ocular hypertension ALLERGAN, INC. 2007-10-25 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 (6 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-20070249581-A1 Abnormal Cannabidiols as agents for lowering intraocular pressure CNR2, CNR1, PTGIR ACHE 593/4885HTT 3240/4885LMNA 1959/4885
US-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR ACHE 541/4885HTT 3128/4885LMNA 1961/4885
US-20070249731-A1 Abnormal cannabidiols as agents for lowering intraocular pressure CNR2, CNR1, PTGIR ACHE 593/4885HTT 3240/4885LMNA 1959/4885
US-20070249602-A1 4-(1-isopropyl-4-methyl-1,2,5,6-tetra-hydropyridin-2-yl)-5-methylbenzene- 1,3-diol; glaucoma or ocular hypertension PTGIR, PTGS1, PTGIS ACHE 1125/4885HTT 2236/4885LMNA 2623/4885
US-20100010027-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR ACHE 593/4885HTT 3240/4885LMNA 1959/4885
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR ACHE 541/4885HTT 3128/4885LMNA 1961/4885

“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.