Iodide

Iodide

SCHEMBL5329489

CC[n+]1c(C=CC=CN(C(C)=O)c2ccccc2)sc2ccccc21.[I-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
▸ KMT2A Q03164 9/20 1.00
▸ MAPT P10636 8/20 1.00
▸ MEN1 O00255 8/20 1.00
▸ ALDH1A1 P00352 6/20 1.00
▸ ALOX12 P18054 2/20 1.00
▸ CTNNB1 P35222 2/20 1.00
▸ CYP1A2 P05177 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ HTT P42858 6/20 0.77
▸ LMNA P02545 5/20 0.77
▸ BLM P54132 5/20 0.77
▸ THRB P10828 4/20 0.77
▸ KDM4E B2RXH2 4/20 0.77
▸ POLB P06746 4/20 0.77
▸ MAPK1 P28482 3/20 0.77
▸ SMN1; SMN2 Q16637 3/20 0.77
▸ TDP1 Q9NUW8 2/20 0.77

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 SCHEMBL5329486 1.00 KMT2A (1.00) KMT2AMAPTMEN1ALDH1A1ALOX12
Iodide SCHEMBL9437119 0.99 KMT2A (0.98) KMT2AMAPTMEN1ALDH1A1ALOX12
Iodide SCHEMBL9437122 0.99 KMT2A (0.98) KMT2AMAPTMEN1ALDH1A1ALOX12
SCHEMBL12821744 0.99 KMT2A (0.98) KMT2AMAPTMEN1ALDH1A1ALOX12
SCHEMBL12821746 0.99 KMT2A (0.98) KMT2AMAPTMEN1ALDH1A1ALOX12
SCHEMBL13646783 0.98 KMT2A (0.96) KMT2AMAPTMEN1ALDH1A1ALOX12
Perchlorate SCHEMBL10521396 0.95 MAPT (0.90) KMT2AMAPTMEN1ALDH1A1ALOX12
Iodide SCHEMBL9768656 0.93 MAPT (0.87) KMT2AMAPTMEN1ALDH1A1ALOX12
Iodide SCHEMBL8067949 0.93 MAPT (0.87) KMT2AMAPTMEN1ALDH1A1ALOX12
Perchlorate SCHEMBL11638443 0.88 MAPT (0.78) KMT2AMAPTMEN1ALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316371-B2 Screening methods for identifying specific Staphylococcus aureus inhibitors TRANA DISCOVERY, INC. (US) 2019-06-11 — — US disclosed
US-20140163037-A1 SCREENING METHODS FOR IDENTIFYING SPECIFIC STAPHYLOCOCCUS AUREUS INHIBITORS TRANA DISCOVERY, INC. (US) 2014-06-12 — — US disclosed
EP-2691542-A1 SCREENING METHODS FOR IDENTIFYING SPECIFIC STAPHYLOCOCCUS AUREUS INHIBITORS Trana Discovery, Inc. (US) 2014-02-05 — — EP disclosed
WO-2012135416-A1 SCREENING METHODS FOR IDENTIFYING SPECIFIC STAPHYLOCOCCUS AUREUS INHIBITORS TRANA DISCOVERY, INC. (US) 2012-10-04 — — WO disclosed
WO-2007128691-A1 HIGH CAPACITY OPTICAL STORAGE MEDIA COMPRISING ORGANOMETALLIC ION PAIRS CIBA HOLDING INC. (CH) 2007-11-15 — — WO disclosed
US-4855213-A SPECTRA SENSITIZERS EASTMAN KODAK COMPANY (US) 1989-08-08 — — US disclosed
US-4839260-A Novel polymethine dyes and UV absorbers and imaging materials for their use EASTMAN KODAK COMPANY (US) 1989-06-13 — — US disclosed
US-4839274-A Novel polymethine dyes and UV absorbers containing a triarylborylisocyano group and imaging compositions containing these dyes EASTMAN KODAK COMPANY (US) 1989-06-13 — — US disclosed
EP-0297871-A2 Novel polymethine dyes and UV absorbers and imaging materials for their use EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-01-04 — — EP disclosed
EP-0297872-A2 Novel polymethine dyes and UV absorbers and imaging materials for their use EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-01-04 — — EP disclosed
EP-0297873-A2 Novel polymethine dyes and imaging compositions EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-01-04 — — EP disclosed
US-RE29168-E HEAT SENSITIVE, ANTIHALATION LAYER EASTMAN KODAK COMPANY (US) 1977-04-05 — — 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 (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-20140163037-A1 SCREENING METHODS FOR IDENTIFYING SPECIFIC STAPHYLOCOCCUS AUREUS INHIBITORS NSUN3, RNGTT, TRMT1 KMT2A 1190/4885MAPT 2009/4885MEN1 3734/4885
US-10316371-B2 Screening methods for identifying specific Staphylococcus aureus inhibitors NSUN3, RNGTT, TRMT1 KMT2A 1190/4885MAPT 2009/4885MEN1 3734/4885

“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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