Iodide

Iodide

SCHEMBL2241002

CSC(=N)c1ccccc1.I

nearest known ligand 0.44

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
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F12 P00748 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
BLM P54132 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41
PRSS3 P35030 1/20 0.41
RECQL P46063 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL1668498 0.97 F2 (0.46) F2F10F12F7F3
SCHEMBL19608218 0.79 PRSS1 (0.58) PRSS1PRSS2PRSS3MAPTHDAC8
Iodide SCHEMBL7118811 0.76 MAPT (0.47) KMT2AMEN1CA1CA2ALDH1A1
Iodide SCHEMBL3826457 0.76 LMNA (0.46) KMT2AMEN1CA1CA2ALDH1A1
Iodide SCHEMBL7079741 0.76 HDAC8 (0.48) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL24761126 0.73 F2 (0.42) F2F10F12F7F3
SCHEMBL8388749 0.73
SCHEMBL1981632 0.73 MAPT (0.48) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL13933397 0.73 LMNA (0.48) KMT2AMEN1CA1CA2ALDH1A1
Iodide SCHEMBL6400498 0.73 NPC1 (0.50) KMT2AMEN1CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023052772-A1 AMIDO DERIVATIVES FOR USE IN THE TREATMENT OF RNA VIRAL INFECTIONS UNIVERSITY OF STRATHCLYDE (GB) 2023-04-06 WO disclosed
US-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2015-07-02 US disclosed
US-8921406-B2 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2014-12-30 US disclosed
US-20110207788-A1 5-Ring Heteroaromatic compounds and their use as binding partners for 5-ht5 receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-08-25 US disclosed
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO disclosed
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed
EP-0357460-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 1995-01-18 EP disclosed
EP-0357460-A2 13-Substituted milbemycin derivatives, their preparation and use Sankyo Company Limited (JP) 1990-03-07 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 (3 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 F2 871/4885F10 1154/4885F12 341/4885
US-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR3A, HTR6 F2 4758/4885F10 4110/4885F12 4631/4885
US-20110207788-A1 5-Ring Heteroaromatic compounds and their use as binding partners for 5-ht5 receptors HTR5A, HTR3A, HTR6 F2 4758/4885F10 4110/4885F12 4631/4885

“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.