Iodide

Iodide

SCHEMBL352068

CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3cc[n+](C)cc3)s2)cc1.[I-]

nearest known ligand 0.37

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
▸ CHRM1 known ✓ P11229 1/20 0.33
▸ CHRM3 known ✓ P20309 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ INSR P06213 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ APP P05067 3/20 0.35
▸ KDM4A O75164 3/20 0.33
▸ KDM2A Q9Y2K7 3/20 0.33

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
SCHEMBL354255 0.94 INSR (0.34) KDM4ENPC1LMNAHTTRAB9A
SCHEMBL354256 0.91 INSR (0.33) KDM4ENPC1LMNAHTTRAB9A
SCHEMBL352115 0.90 CNR2 (0.36) INSRCNR2
Trifluoromethanesulfonic Acid SCHEMBL353958 0.86 KCNH2 (0.45) CNR2
SCHEMBL10031417 0.85 INSR (0.38) NPC1RAB9AINSRAPPKDM4A
SCHEMBL353190 0.84 CNR2 (0.43) LMNAHTTCYP2D6CYP2C9CYP2C19
Iodide SCHEMBL352942 0.83 HTT (0.38) KDM4ENPC1LMNAHTTRAB9A
Iodide SCHEMBL354202 0.81 HTT (0.38) KDM4ENPC1LMNAHTTRAB9A
SCHEMBL16503876 0.81 INSR (0.38) KDM4ENPC1LMNAHTTRAB9A
SCHEMBL353810 0.81 PRKCI (0.40) KDM4ENPC1LMNAHTTRAB9A

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-20120015399-A1 FLUORESCENT SOLVATOCHROMIC PIGMENT NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-19 — — 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-20120015399-A1 FLUORESCENT SOLVATOCHROMIC PIGMENT ANXA5, TRPV5, TRPC5 CHRM1 212/4885CHRM3 301/4885KDM4E 3661/4885

“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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