Iodide

Iodide

SCHEMBL5146457

CCCCCC[n+]1c(-c2ccccc2)n(C)c2ccccc21.[I-]

nearest known ligand 0.47

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
PTPN1 P18031 1/20 0.47
KDM4E B2RXH2 5/20 0.42
HTT P42858 4/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAD52 P43351 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RGS12 O14924 1/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42
MCL1 Q07820 1/20 0.42
ATM Q13315 1/20 0.42
ERAP1 Q9NZ08 1/20 0.40
APOBEC3A P31941 1/20 0.40

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
SCHEMBL29549686 0.99 PTPN1 (0.45) PTPN1KDM4EHTTNPC1MEN1
SCHEMBL11117719 0.89 PTPN1 (0.38) PTPN1KDM4EHTTNPC1MEN1
SCHEMBL29737346 0.83 ERAP1 (0.40) PTPN1KDM4EHTTNPC1MEN1
Tromethamine SCHEMBL21635527 0.81 PTPN1 (0.33) PTPN1KDM4EHTTERAP1APOBEC3A
Iodide SCHEMBL5143882 0.79 PTPN1 (0.58) PTPN1KDM4EHTTNPC1MEN1
Iodide SCHEMBL22390070 0.79 PTPN1 (0.47) PTPN1KDM4EHTTNPC1MEN1
Bromide SCHEMBL10607709 0.78 PTPN1 (0.42) PTPN1KDM4EHTTNPC1MEN1
SCHEMBL15157507 0.77 PTPN1 (0.56) PTPN1KDM4EHTTNPC1MEN1
Iodide SCHEMBL5146463 0.76 ERAP1 (0.46) KDM4EHTTMEN1KMT2ALMNA
SCHEMBL29073229 0.76 ERAP1 (0.52) KDM4EHTTNPC1MEN1KMT2A

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-7273953-B2 Process for producing arylamine FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-09-25 US disclosed
US-20060069287-A1 Process for producing arylamine FUJIFILM FINECHEMICALS CO., LTD. (JP) 2006-03-30 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 (1 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-20060069287-A1 Process for producing arylamine TYR, AADAC, AOC2 PTPN1 1428/4885KDM4E 1302/4885HTT 742/4885

“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.