Iodide

Iodide

SCHEMBL1410328

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.I

nearest known ligand 0.41

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
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41

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 SCHEMBL6764786 1.00 STAT3 (0.41) STAT3STAT1
Iodide SCHEMBL29827551 1.00 STAT3 (0.41) STAT3STAT1
Iodide SCHEMBL11328134 0.97 STAT3 (0.40) STAT3STAT1
Iodide SCHEMBL1859209 0.97 STAT3 (0.40) STAT3STAT1
Iodide SCHEMBL11341933 0.97 STAT3 (0.40) STAT3STAT1
Iodide SCHEMBL11328136 0.97 STAT3 (0.40) STAT3STAT1
SCHEMBL29430977 0.97 STAT3 (0.42) STAT3STAT1
SCHEMBL9430673 0.97 STAT3 (0.42) STAT3STAT1
SCHEMBL30821407 0.97 STAT3 (0.42) STAT3STAT1
SCHEMBL6517023 0.97 STAT3 (0.42) STAT3STAT1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101613353-A The method of a kind of synthetic four (4-dimethylaminophenyl) porphyrins and derivative thereof UNIV FUDAN 2009-12-30 — — CN claimed
US-9289434-B2 Substituted porphyrins AEOLUS SCIENCES, INC. (US) 2016-03-22 — — US disclosed
US-20150231150-A1 SUBSTITUTED PORPHYRINS AEOLUS PHARMACEUTICALS INC. 2015-08-20 — — US disclosed
US-8946202-B2 Substituted porphyrins AEOLUS SCIENCES, INC. (US) 2015-02-03 — — US disclosed
US-20140011794-A1 SUBSTITUTED PORPHYRINS Aeouls Sciences, Inc. (US) 2014-01-09 — — US disclosed
US-8546562-B2 Substituted porphyrins DUKE UNIVERSITY 2013-10-01 — — US disclosed
US-20120214780-A1 SUBSTITUTED PORPHYRINS AEOLUS SCIENCES, INC. (US) 2012-08-23 — — US disclosed
US-8217026-B2 Substituted porphyrins AEOLUS SCIENCES, INC. (US) 2012-07-10 — — US disclosed
CN-101613353-B Method for synthesizing tetra (4-dimethylaminophenyl) porphyrin and derivatives thereof UNIV FUDAN 2012-05-23 — — CN disclosed
US-20110065679-A1 Substituted Porphyrins AEOLUS PHARMACEUTICALS, INC. (US) 2011-03-17 — — US disclosed
US-20040023941-A1 Modulating physiological and pathological processes and, in particular, to a method of modulating cellular levels of oxidants and thereby processes in which such oxidants are a participant. The invention also relates to compounds and NATIONAL JEWISH MEDICAL AND RESEARCH CENTER 2004-02-05 — — US disclosed
CN-1450066-A Porphyrin derivate with macrosubstituent, preparation process thereof and use as small molecule antioxidant GONG XIANCHANG (CN) 2003-10-22 — — CN disclosed
US-6544975-B1 Mimetics that inhibit lipid peroxidation; for use in the treatment of diseases or disorders mediated by oxidative stress, such as asthma, inflammatory bowel disease, arthritis and vasculitis. NATIONAL JEWISH MEDICAL AND RESEARCH CENTER 2003-04-08 — — US disclosed
EP-1155019-A4 SUBSTITUTED PORPHYRINS NAT JEWISH MED & RES CENTER (US) 2002-07-03 — — EP disclosed
EP-1155019-A1 SUBSTITUTED PORPHYRINS National Jewish Medical and Research Center (US) 2001-11-21 — — EP disclosed
WO-2000043395-A1 SUBSTITUTED PORPHYRINS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2000-07-27 — — WO disclosed
US-5236914-A Antitumor agents, viricides CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1993-08-17 — — US disclosed
US-4256597-A DETERGENT AND PHOTOINITIATOR COMPRISING A PORPHINE OR MONO, DI, OR TRIAZO PORPHINE, OR PHTHALOCYANINE COMPOUND; WATER SOLUBILITY; STAIN REMOVAL THE PROCTER & GAMBLE COMPANY (US) 1981-03-17 — — US disclosed
US-4255273-A COMPRISING A WATER-SOLUBLE PHOTOACTIVATOR AND A CATIONIC SUBSTANCE THE PROCTER & GAMBLE COMPANY (US) 1981-03-10 — — US disclosed
EP-0003149-A2 Composition containing a photoactivator for improved washing and bleaching of fabrics THE PROCTER & GAMBLE COMPANY (US) 1979-07-25 — — 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 (5 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-20120214780-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 STAT3 892/4885STAT1 1589/4885
US-20150231150-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 STAT3 892/4885STAT1 1589/4885
US-20110065679-A1 Substituted Porphyrins PPOX, GPX4, PRDX5 STAT3 892/4885STAT1 1589/4885
US-20040023941-A1 Modulating physiological and pathological processes and, in particular, to a method of modulating cellular levels of oxidants and thereby processes in which such oxidants are a participant. The invention also relates to compounds and TXN2, PRDX5, GPX4 STAT3 690/4885STAT1 941/4885
US-20140011794-A1 SUBSTITUTED PORPHYRINS PPOX, GPX4, PRDX5 STAT3 892/4885STAT1 1589/4885

“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.

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