Iodide

Iodide

SCHEMBL1775657

C[N+](C)(C)CCC=C1c2ccccc2Sc2ccccc21.[I-]

nearest known ligand 0.68

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 2/20 0.48
CHRM3 known ✓ P20309 1/20 0.40
ALDH1A1 P00352 3/20 0.68
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
USP2 O75604 3/20 0.51
APAF1 O14727 2/20 0.51
POLB P06746 2/20 0.51
HSP90AA1 P07900 2/20 0.51
MC4R P32245 2/20 0.51
UBE2N P61088 2/20 0.51
RAD52 P43351 2/20 0.51
RCE1 Q9Y256 1/20 0.51
MAPT P10636 1/20 0.51
SIGMAR1 Q99720 1/20 0.49
CYP3A4 P08684 5/20 0.48
LMNA P02545 5/20 0.48
CYP2D6 P10635 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48

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
SCHEMBL3939116 0.98 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AUSP2APAF1
Iodide SCHEMBL1774982 0.89 MEN1 (0.57) ALDH1A1MEN1KMT2AUSP2APAF1
Iodide SCHEMBL1774984 0.89 MEN1 (0.57) ALDH1A1MEN1KMT2AUSP2APAF1
Iodide SCHEMBL29394388 0.88 MEN1 (0.76) ALDH1A1MEN1KMT2AUSP2APAF1
Iodide SCHEMBL22588126 0.88 MEN1 (0.76) ALDH1A1MEN1KMT2AUSP2APAF1
SCHEMBL4469449 0.87 MEN1 (0.58) ALDH1A1MEN1KMT2AUSP2APAF1
SCHEMBL4469450 0.87 MEN1 (0.58) ALDH1A1MEN1KMT2AUSP2APAF1
SCHEMBL8185372 0.79 SIGMAR1 (0.50) ALDH1A1MEN1KMT2AUSP2APAF1
Iodide SCHEMBL1777006 0.78 MEN1 (0.46) ALDH1A1MEN1KMT2AUSP2APAF1
Iodide SCHEMBL1775221 0.77 MEN1 (0.60) ALDH1A1MEN1KMT2AUSP2APAF1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943606-B2 Compositions and methods to control abnormal cell growth CANCURE LABORATORIES, LLC (US) 2011-05-17 US claimed
US-20100215635-A1 SMALL MOLECULES TO INDUCE WEIGHT LOSS OR TO REDUCE WEIGHT GAIN KISS ZOLTAN 2010-08-26 US claimed
US-20100048668-A1 COMPOSITIONS AND METHODS TO CONTROL ABNORMAL CELL GROWTH CANCURE LABORATORIES, LLC (US) 2010-02-25 US claimed
US-20100022617-A1 COMPOSITIONS AND METHODS TO CONTROL ABNORMAL CELL GROWTH CANCURE LABORATORIES, LLC (US) 2010-01-28 US claimed
US-20090317372-A1 SMALL MOLECULES FOR THE REDUCTION OF HIGH BLOOD GLUCOSE LEVEL KISS ZOLTAN 2009-12-24 US claimed
US-20090030066-A1 SMALL MOLECULES FOR THE PROTECTION OF PANCREATIC CELLS ZOLTAN LABORATORIES LLC (US) 2009-01-29 US claimed
EP-1931332-A2 COMPOUNDS AND COMPOSITIONS TO CONTROL ABNORMAL CELL GROWTH ZOLTAN LABORATORIES LLC (US) 2008-06-18 EP claimed
WO-2007032818-A2 COMPOUNDS AND COMPOSITIONS TO CONTROL ABNORMAL CELL GROWTH ZOLTAN LABORATORIES LLC (US) 2007-03-22 WO claimed
US-20070060634-A1 COMPOUNDS AND COMPOSITIONS TO CONTROL ABNORMAL CELL GROWTH ZOLTAN LABORATORIES LLC (US) 2007-03-15 US claimed
US-7943606-B2 Compositions and methods to control abnormal cell growth CANCURE LABORATORIES, LLC (US) 2011-05-17 US disclosed
US-20100215635-A1 SMALL MOLECULES TO INDUCE WEIGHT LOSS OR TO REDUCE WEIGHT GAIN KISS ZOLTAN 2010-08-26 US disclosed
US-7781423-B2 Compounds to promote regeneration of bone marrow CANCURE LABORATORIES, LLC (US) 2010-08-24 US disclosed
US-20100048668-A1 COMPOSITIONS AND METHODS TO CONTROL ABNORMAL CELL GROWTH CANCURE LABORATORIES, LLC (US) 2010-02-25 US disclosed
US-20100022617-A1 COMPOSITIONS AND METHODS TO CONTROL ABNORMAL CELL GROWTH CANCURE LABORATORIES, LLC (US) 2010-01-28 US disclosed
US-7423029-B1 from endogenous or exogenous stem/progenitor cells and to normalize blood cell and platelet counts; e.g. [3-(3,4-dimethyl-9-oxo-9H-thioxanthen-2-yloxy)-2-hydroxypropyl]trimethylammonium chloride; antitumor and AIDS agent; low toxicity, side effect reduction ZOLTAN LABORATORIES, LLC (US) 2008-09-09 US disclosed
US-20080207738-A1 DRUG COMBINATIONS TO TREAT DRUG RESISTANT TUMORS CANCURE LABORATORIES, LLC (US) 2008-08-28 US disclosed
EP-1931332-A2 COMPOUNDS AND COMPOSITIONS TO CONTROL ABNORMAL CELL GROWTH ZOLTAN LABORATORIES LLC (US) 2008-06-18 EP disclosed
US-20080114055-A1 Thioxanthone Compounds to Reverse Weight Loss ZOLTAN LABORATORIES LLC (US) 2008-05-15 US disclosed
WO-2007032818-A2 COMPOUNDS AND COMPOSITIONS TO CONTROL ABNORMAL CELL GROWTH ZOLTAN LABORATORIES LLC (US) 2007-03-22 WO disclosed
US-20070060634-A1 COMPOUNDS AND COMPOSITIONS TO CONTROL ABNORMAL CELL GROWTH ZOLTAN LABORATORIES LLC (US) 2007-03-15 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 (8 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-20090317372-A1 SMALL MOLECULES FOR THE REDUCTION OF HIGH BLOOD GLUCOSE LEVEL KCNN1, KCNN3, SLC2A9 CHRM1 2728/4885CHRM3 2544/4885ALDH1A1 3664/4885
US-20080114055-A1 Thioxanthone Compounds to Reverse Weight Loss TET1, TCOF1, CPT1B CHRM1 165/4885CHRM3 432/4885ALDH1A1 1540/4885
US-20080207738-A1 DRUG COMBINATIONS TO TREAT DRUG RESISTANT TUMORS ABCC1, BRCA1, VHL CHRM1 4838/4885CHRM3 4861/4885ALDH1A1 2312/4885
US-20100215635-A1 SMALL MOLECULES TO INDUCE WEIGHT LOSS OR TO REDUCE WEIGHT GAIN GPR119, FABP4, PNLIP CHRM1 3155/4885CHRM3 2156/4885ALDH1A1 1372/4885
US-20070060634-A1 COMPOUNDS AND COMPOSITIONS TO CONTROL ABNORMAL CELL GROWTH ALPP, DNTT, ALPG CHRM1 4779/4885CHRM3 4395/4885ALDH1A1 2158/4885
US-20100048668-A1 COMPOSITIONS AND METHODS TO CONTROL ABNORMAL CELL GROWTH ALPP, ALPG, MKI67 CHRM1 4720/4885CHRM3 4519/4885ALDH1A1 1909/4885
US-20090030066-A1 SMALL MOLECULES FOR THE PROTECTION OF PANCREATIC CELLS RNASE1, IAPP, POT1 CHRM1 2499/4885CHRM3 1967/4885ALDH1A1 1155/4885
US-20100022617-A1 COMPOSITIONS AND METHODS TO CONTROL ABNORMAL CELL GROWTH ALPP, ALPG, DNTT CHRM1 4758/4885CHRM3 4283/4885ALDH1A1 2278/4885

“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.