Iodide

Iodide

SCHEMBL15313341

I.NOP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

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
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA2 P00918 2/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
CFTR P13569 1/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
ALPG P10696 1/20 0.38
ALOX12 P18054 1/20 0.38
NPY1R P25929 1/20 0.38
HTT P42858 1/20 0.38
NPY2R P49146 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL276503 0.97 ALDH1A1 (0.58) ALDH1A1L3MBTL1MEN1KMT2ACA2
Iodide SCHEMBL15313340 0.93 ALDH1A1 (0.54) ALDH1A1L3MBTL1MEN1KMT2ACA2
SCHEMBL28890291 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1MEN1KMT2ACA2
SCHEMBL28492227 0.78 ALDH1A1 (0.48) ALDH1A1L3MBTL1MEN1KMT2ACA2
SCHEMBL10608636 0.77 L3MBTL1 (0.56) ALDH1A1L3MBTL1MEN1KMT2ACA2
SCHEMBL29086939 0.77 CA2 (0.52) ALDH1A1L3MBTL1MEN1KMT2ACA2
SCHEMBL7277887 0.76 ALDH1A1 (0.56) ALDH1A1L3MBTL1MEN1KMT2ACA2
SCHEMBL5877657 0.76 ALDH1A1 (0.56) ALDH1A1L3MBTL1MEN1KMT2ACA2
SCHEMBL27494600 0.74 ALDH1A1 (0.54) ALDH1A1L3MBTL1MEN1KMT2ACA2
SCHEMBL18951487 0.73 L3MBTL1 (0.48) ALDH1A1L3MBTL1MEN1KMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 EP disclosed
US-10174038-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2019-01-08 US disclosed
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9504689-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-11-29 US disclosed
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2015-08-27 US disclosed
US-8980878-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-03-17 US disclosed
EP-2838900-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2015-02-25 EP disclosed
WO-2013158776-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2013-10-24 WO disclosed
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2013-10-17 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 (4 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-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ALDH1A1 3727/4885L3MBTL1 2384/4885MEN1 2590/4885
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ALDH1A1 3727/4885L3MBTL1 2384/4885MEN1 2590/4885
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ALDH1A1 3727/4885L3MBTL1 2384/4885MEN1 2590/4885
US-10174038-B2 Compounds and methods for antiviral treatment ZC3HAV1, SARS1, MAVS ALDH1A1 3727/4885L3MBTL1 2384/4885MEN1 2590/4885

“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.