Iodide

Iodide

SCHEMBL21519465

I.[H]/N=C(\NCCCC)NN=Cc1c(Cl)cccc1Cl

nearest known ligand 0.51

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 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ POLB P06746 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALOX12 P18054 1/20 0.39

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 SCHEMBL21519467 0.91 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL21538009 0.90 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1POLBHTT
Iodide SCHEMBL21519405 0.80 POLB (0.60) ALDH1A1KMT2AMEN1POLBHTT
Iodide SCHEMBL21519538 0.74 FAAH (0.46) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL18888910 0.74 POLB (0.46) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL19449739 0.73 POLB (0.60) ALDH1A1KMT2AMEN1POLBHTT
Iodide SCHEMBL21519406 0.73 POLB (0.65) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL12218268 0.73 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1POLBCYP1A2
Hydrochloric Acid SCHEMBL17560917 0.72 POLB (0.58) ALDH1A1KMT2AMEN1POLBHTT
Iodide SCHEMBL21519477 0.72 POLB (0.51) ALDH1A1KMT2AMEN1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006294-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-06-11 — — US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 — — 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-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR ALDH1A1 1048/4885KMT2A 3083/4885MEN1 4058/4885
US-12006294-B2 Therapeutic compounds OPRL1, INA, OGFR ALDH1A1 1048/4885KMT2A 3083/4885MEN1 4058/4885

“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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