Iodide

Iodide

SCHEMBL5143882

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

nearest known ligand 0.58

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 0.58
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ATM Q13315 2/20 0.50
NPC1 O15118 2/20 0.50
APOBEC3A P31941 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
KDM4E B2RXH2 4/20 0.38
HTT P42858 2/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 3/20 0.36
RAD52 P43351 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RGS12 O14924 1/20 0.36
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL15157507 0.98 PTPN1 (0.56) PTPN1MEN1KMT2AATMNPC1
Iodide SCHEMBL22390070 0.90 PTPN1 (0.47) PTPN1MEN1KMT2AATMNPC1
SCHEMBL15156667 0.88 MEN1 (0.44) PTPN1MEN1KMT2AATMNPC1
Iodide SCHEMBL25434164 0.84 PTPN1 (0.56) PTPN1MEN1KMT2AATMNPC1
SCHEMBL25387252 0.83 PTPN1 (0.54) PTPN1MEN1KMT2AATMNPC1
Water SCHEMBL25434773 0.81 PTPN1 (0.52) PTPN1MEN1KMT2AATMNPC1
SCHEMBL3457693 0.81 KDM4E (0.49) PTPN1MEN1KMT2AAPOBEC3AAPOBEC3G
Iodide SCHEMBL5146457 0.79 PTPN1 (0.47) PTPN1MEN1KMT2AATMNPC1
SCHEMBL3834206 0.79 APOBEC3A (0.40) PTPN1APOBEC3AAPOBEC3GKDM4EHTT
SCHEMBL10325415 0.77 APOBEC3A (0.43) PTPN1MEN1KMT2ANPC1APOBEC3A

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 1428/4885MEN1 3458/4885KMT2A 352/4885

“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.