Iodide

Iodide

SCHEMBL9932396

CCc1cc(N(C)C)cc2c1Nc1c(C)cccc1S2.I.I.I

nearest known ligand 0.36

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
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
BCHE P06276 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
GSK3B P49841 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
NOX1 Q9Y5S8 1/20 0.30

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
SCHEMBL12592434 0.86 PSMB5 (0.32) MEN1KMT2ATDP1MAPK1L3MBTL1
Iodide SCHEMBL9933186 0.82 KDM4E (0.32) ALDH1A1HSD17B10KDM4E
Iodide SCHEMBL9932003 0.80 PDK2 (0.39) ALDH1A1MAPTALOX15HSD17B10KDM4E
SCHEMBL2592493 0.80 PDK2 (0.41) ALDH1A1MAPTALOX15HSD17B10KDM4E
SCHEMBL13210522 0.76
SCHEMBL13210523 0.75 S100B (0.35)
Iodide SCHEMBL2595574 0.75 APP (0.33) ALDH1A1MAPTALOX15HSD17B10KDM4E
Iodide SCHEMBL13386230 0.75 MEN1 (0.36) ALDH1A1MAPTALOX15HSD17B10KDM4E
SCHEMBL3310694 0.75 TSHR (0.34) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL12592448 0.75 TSHR (0.34) MAPTMEN1KMT2ATDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699241-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-07-27 EP disclosed
EP-2585073-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-04-27 EP disclosed
US-8828986-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-09-09 US disclosed
US-8785434-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-07-22 US disclosed
EP-2699241-A1 ANTIVIRAL COMPOUNDS Prosetta Antiviral Inc. (US) 2014-02-26 EP disclosed
WO-2012145567-A1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC. (US) 2012-10-26 WO disclosed
US-20120270854-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-10-25 US disclosed
US-20120157435-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-06-21 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-20120157435-A1 Antiviral Compounds MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 1573/4885MAPT 693/4885ALOX15 1600/4885
US-20120270854-A1 Antiviral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 1002/4885MAPT 1569/4885ALOX15 2084/4885

“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.