Iodide

Iodide

SCHEMBL4151879

[C+]1=CC2c3ccccc3NC2C=C1.[I-]

nearest known ligand 0.34

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 17)

geneUniProtsupporting neighboursconfidence
HSPA1A P0DMV8 1/20 0.34
PTPN7 P35236 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIM1 P11309 1/20 0.31

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
SCHEMBL19004692 0.72 HSPA1A (0.38) HSPA1APTPN7TDP1MAPTGAA
SCHEMBL454276 0.72 HSPA1A (0.38) HSPA1APTPN7TDP1MAPTGAA
SCHEMBL15704498 0.72 HSPA1A (0.38) HSPA1APTPN7TDP1MAPTGAA
Hydrochloric Acid SCHEMBL6829790 0.69 PARP1 (0.32) MAPTMEN1KMT2A
SCHEMBL8080080 0.67 MAPT (0.36) HSPA1APTPN7TDP1MAPTGAA
SCHEMBL10061181 0.66 HSPA1A (0.34) HSPA1APTPN7TDP1MAPTGAA
Acetic Acid SCHEMBL11557554 0.63 HSPA1A (0.44) HSPA1APTPN7TDP1MAPTGAA
SCHEMBL19041873 0.63 HSPA1A (0.35) HSPA1APTPN7TDP1MAPTGAA
SCHEMBL22652982 0.63 PIM1 (0.37) HSPA1APTPN7TDP1MAPTGAA
SCHEMBL22385927 0.62 PIM1 (0.35) HSPA1APTPN7TDP1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247520-A1 INHIBITORS OF ANTIGEN RECEPTOR-INDUCED NF-kappa B ACTIVATION THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-10-01 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-20090247520-A1 INHIBITORS OF ANTIGEN RECEPTOR-INDUCED NF-kappa B ACTIVATION NFKBIA, IKBKB, NFRKB HSPA1A 993/4885PTPN7 567/4885TDP1 3894/4885

“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.