Iodide

Iodide

SCHEMBL3532425

I.O=[N+]([O-])c1ccc2[nH]nc(I)c2c1

nearest known ligand 0.60

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
MAPT P10636 5/20 0.60
HPGD P15428 1/20 0.60
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
NOS1 P29475 2/20 0.47
POLB P06746 2/20 0.47
MAOB P27338 1/20 0.47
CNR2 P34972 3/20 0.47
CDK2 P24941 1/20 0.47
CNR1 P21554 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA2 P47869 1/20 0.46
PARP1 P09874 2/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL760614 0.98 MAPT (0.61) MAPTHPGDCA12CA9NOS1
SCHEMBL29644044 0.98 MAPT (0.61) MAPTHPGDCA12CA9NOS1
SCHEMBL29395331 0.85 MAPT (0.50) MAPTHPGDCA12CA9NOS1
SCHEMBL1176140 0.85 MAPT (0.50) MAPTHPGDCA12CA9NOS1
SCHEMBL757425 0.80 MAPT (0.63) MAPTHPGDCA12CA9NOS1
SCHEMBL12193486 0.80 MAPT (0.63) MAPTHPGDCA12CA9NOS1
SCHEMBL9489886 0.79 MAPT (0.61) MAPTHPGDCA12CA9NOS1
SCHEMBL760760 0.79 MAPT (0.61) MAPTHPGDCA12CA9NOS1
SCHEMBL3370857 0.79 MAPT (0.61) MAPTHPGDCA12CA9NOS1
SCHEMBL254651 0.79 MAPT (0.61) MAPTHPGDCA12CA9NOS1

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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 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 (1 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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A MAPT 797/4885HPGD 469/4885CA12 4661/4885

“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.