Iodide

Iodide

SCHEMBL1777006

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

nearest known ligand 0.46

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 0.41
CHRM3 known ✓ P20309 1/20 0.35
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 2/20 0.45
USP2 O75604 4/20 0.42
APAF1 O14727 2/20 0.42
POLB P06746 2/20 0.42
HSP90AA1 P07900 2/20 0.42
MC4R P32245 2/20 0.42
UBE2N P61088 2/20 0.42
RAD52 P43351 2/20 0.42
RCE1 Q9Y256 1/20 0.42
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
CYP3A4 P08684 6/20 0.41
LMNA P02545 5/20 0.41
CYP1A2 P05177 5/20 0.41
CYP2C19 P33261 5/20 0.41
CYP2D6 P10635 5/20 0.41

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
SCHEMBL12604824 0.82 MEN1 (0.53) MEN1KMT2AALDH1A1USP2APAF1
Bromide SCHEMBL1774760 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1USP2APAF1
Bromide SCHEMBL1775522 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1USP2APAF1
Iodide SCHEMBL1775657 0.78 ALDH1A1 (0.68) MEN1KMT2AALDH1A1USP2APAF1
SCHEMBL3939116 0.76 ALDH1A1 (0.65) MEN1KMT2AALDH1A1USP2APAF1
SCHEMBL12604822 0.76 MEN1 (0.57) MEN1KMT2AALDH1A1USP2APAF1
Bromide SCHEMBL1774748 0.75 MEN1 (0.59) MEN1KMT2AALDH1A1USP2APAF1
Bromide SCHEMBL1774747 0.75 MEN1 (0.59) MEN1KMT2AALDH1A1USP2APAF1
SCHEMBL8185372 0.74 SIGMAR1 (0.50) MEN1KMT2AALDH1A1USP2APAF1
Iodide SCHEMBL1774916 0.73 MEN1 (0.58) MEN1KMT2AALDH1A1USP2APAF1

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 11 patents. 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 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-7589083-B2 [3-(3,4-Dimethyl-9-oxo-9H- thioxanthen-2-yloxy)-2- hydroxypropyl]trimethyl- ammonium chloride; antitumor; simultaneously enhancing the efficacy and decreasing the toxicity of chemotherapy by single agents CANCURE LABORATORIES, LLC (US) 2009-09-15 US disclosed
US-20090004136-A1 COMPOUNDS TO PROMOTE REGENERATION OF BONE MARROW ZOLTAN LABORATORIES LLC (US) 2009-01-01 US disclosed
US-20080234234-A1 COMPOUNDS TO PROMOTE REGENERATION OF BONE MARROW ZOLTAN LABORATORIES, LLC (US) 2008-09-25 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
EP-1931332-A2 COMPOUNDS AND COMPOSITIONS TO CONTROL ABNORMAL CELL GROWTH ZOLTAN LABORATORIES LLC (US) 2008-06-18 EP 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 (5 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-20090004136-A1 COMPOUNDS TO PROMOTE REGENERATION OF BONE MARROW PDGFA, BMP4, BMP2 CHRM1 4598/4885CHRM3 3892/4885MEN1 3017/4885
US-20070060634-A1 COMPOUNDS AND COMPOSITIONS TO CONTROL ABNORMAL CELL GROWTH ALPP, DNTT, ALPG CHRM1 4779/4885CHRM3 4395/4885MEN1 3192/4885
US-20100048668-A1 COMPOSITIONS AND METHODS TO CONTROL ABNORMAL CELL GROWTH ALPP, ALPG, MKI67 CHRM1 4720/4885CHRM3 4519/4885MEN1 2734/4885
US-20080234234-A1 COMPOUNDS TO PROMOTE REGENERATION OF BONE MARROW PDGFA, BMP4, BMP2 CHRM1 4598/4885CHRM3 3892/4885MEN1 3017/4885
US-20100022617-A1 COMPOSITIONS AND METHODS TO CONTROL ABNORMAL CELL GROWTH ALPP, ALPG, DNTT CHRM1 4758/4885CHRM3 4283/4885MEN1 3329/4885

“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.