Iodide

Iodide

SCHEMBL4318141

C[N+]1(C)CCC(CCN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)CC1.[I-]

nearest known ligand 0.52

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 16)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 5/20 0.52
F10 P00742 4/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STK33 Q9BYT3 1/20 0.38
MAPT P10636 1/20 0.37
RPS6KA2 Q15349 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6698295 0.99 ACHE (0.53) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4305977 0.87 ACHE (0.54) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4309831 0.86 ACHE (0.61) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4312080 0.86 ACHE (0.56) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4302308 0.86 ACHE (0.56) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4304803 0.82 ACHE (0.49) ACHE
SCHEMBL4310810 0.82 ACHE (0.58) ACHEF10
SCHEMBL5470540 0.82 ACHE (0.55) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4314316 0.79 ACHE (0.45) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL6404923 0.78 ACHE (0.43) ACHEF10ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-20080039446-A1 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2008-02-14 US disclosed
US-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 US disclosed
US-20040215019-A1 Substituted isoindoles and the e use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-28 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 (2 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-20080039446-A1 Substituted isoindoles and their use F2, F12, TFPI2 ACHE 1206/4885F10 19/4885ALDH1A1 346/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 ACHE 1270/4885F10 14/4885ALDH1A1 166/4885

“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.