Iodide

Iodide

SCHEMBL2290256

C[N+](C)(C)[C@@H](CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1)CNC(=O)c1nc(Cl)c(N)nc1N.[I-]

nearest known ligand 0.74

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
KCNH2 Q12809 2/20 0.74
CHRM4 P08173 1/20 0.39
EPOR P19235 6/20 0.39
SCNN1A P37088 5/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FTO Q9C0B1 1/20 0.37

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
SCHEMBL11959315 0.99 KCNH2 (0.75) KCNH2CHRM4EPORSCNN1AHDAC1
SCHEMBL12379736 0.99 KCNH2 (0.75) KCNH2CHRM4EPORSCNN1AHDAC1
Iodide SCHEMBL1428394 0.93 KCNH2 (0.63) KCNH2EPORSCNN1AKDM4E
SCHEMBL11959314 0.92 KCNH2 (0.64) KCNH2EPORSCNN1AKDM4E
SCHEMBL1134581 0.88 KCNH2 (0.72) KCNH2CHRM4EPORSCNN1AKDM4E
SCHEMBL16541810 0.87 KCNH2 (0.70) KCNH2CHRM4EPORSCNN1AHDAC1
SCHEMBL11959362 0.85 KCNH2 (1.00) KCNH2CHRM4SCNN1AHDAC1HDAC7
SCHEMBL2076563 0.85 KCNH2 (0.67) KCNH2CHRM4EPORSCNN1AKDM4E
Trifluoroacetic Acid SCHEMBL1134632 0.85 KCNH2 (0.67) KCNH2CHRM4EPORSCNN1A
Bromide SCHEMBL1428944 0.84 KCNH2 (1.00) KCNH2CHRM4SCNN1AHDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300010-B1 PYRAZINE DERIVATIVES AS EPITHELIAL SODIUM CHANNEL BLOCKERS NOVARTIS AG (CH) 2015-03-04 EP disclosed
US-8236808-B2 Pyrazine derivatives as ENAC blockers NOVARTIS AG (CH) 2012-08-07 US disclosed
US-20110201625-A1 Organic Comopunds NOVARTIS AG (CH) 2011-08-18 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-20110201625-A1 Organic Comopunds OR10J3, CFTR, CLIC1 KCNH2 49/4885CHRM4 122/4885EPOR 1531/4885

“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.