Iodide

Iodide

SCHEMBL4455368

CC[n+]1cccc(NC(=O)Cn2c(=O)n(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(Cl)cc32)c1.[I-]

nearest known ligand 0.40

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
MAPT P10636 9/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KAT2B Q92831 1/20 0.38
S1PR2 O95136 1/20 0.38
PARG Q86W56 1/20 0.37
THRB P10828 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXFP1 Q9HBX9 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
Iodide SCHEMBL7469549 0.96 MAPT (0.41) MAPTLMNAMEN1KMT2ATP53
Iodide SCHEMBL7467987 0.94 RXFP1 (0.45) MAPTLMNATP53SMN1; SMN2S1PR2
Iodide SCHEMBL7466550 0.90 MAPT (0.38) MAPTLMNAMEN1KMT2ATP53
Iodide SCHEMBL7462209 0.90 MAPT (0.41) MAPTLMNAMEN1KMT2ATP53
Bromide SCHEMBL7469463 0.89 MAPT (0.39) MAPTLMNAMEN1KMT2ATP53
SCHEMBL7563746 0.86 MAPT (0.49) MAPTLMNAMEN1KMT2ATP53
Iodide SCHEMBL7468583 0.85 MAPT (0.43) MAPTLMNAMEN1KMT2ATP53
SCHEMBL7472833 0.85 MAPT (0.48) MAPTLMNAMEN1KMT2ATP53
Iodide SCHEMBL7464178 0.84 MAPT (0.37) MAPTLMNAMEN1KMT2ATP53
SCHEMBL7460699 0.83 NLRP3 (0.45) MAPTLMNAMEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 US disclosed
US-20040086537-A1 Prophylactic or threapeutic composition for ocular circulation disorders INOUE JUN (JP) 2004-05-06 US disclosed
EP-1224945-A1 TENSION-RELIEVING AGENTS FOR CILIARY MUSCLE Senju Pharmaceutical Co., Ltd. (JP) 2002-07-24 EP disclosed
EP-0795548-B1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LTD (JP) 2002-07-03 EP disclosed
EP-1112749-A2 PREVENTIVES OR REMEDIES FOR EYE CIRCULATORY FAILURE Senju Pharmaceutical Co., Ltd. (JP) 2001-07-04 EP disclosed
EP-0795548-A1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LIMITED (JP) 1997-09-17 EP 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-20040086537-A1 Prophylactic or threapeutic composition for ocular circulation disorders CMA1, THOP1, TPSAB1 MAPT 781/4885LMNA 2667/4885MEN1 3448/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR MAPT 3923/4885LMNA 2833/4885MEN1 2879/4885

“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.