Iodide

Iodide

SCHEMBL2379699

COC(=N)Nc1ccn(C)n1.I

nearest known ligand 0.50

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 19)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.35
CHRM3 known ✓ P20309 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
NOTUM Q6P988 1/20 0.43
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.41
RAF1 P04049 1/20 0.40
HPGDS O60760 1/20 0.40
GRM5 P41594 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CTSK P43235 1/20 0.35
GCK P35557 2/20 0.35

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
SCHEMBL19781551 0.76 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
Iodide SCHEMBL2380459 0.76 MAPT (0.61) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL20828757 0.74 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL12444121 0.70 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL5629836 0.70 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
Hydrochloric Acid SCHEMBL18131819 0.70 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL14380964 0.70
SCHEMBL10289302 0.69 NPC1 (0.62) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL13472630 0.69 NPC1 (0.63) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL12649503 0.68 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1LMNAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2017-02-09 US disclosed
US-9475782-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-25 US disclosed
US-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT LABORATORIES (US) 2013-12-05 US disclosed
US-8481576-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-07-09 US disclosed
US-8431604-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-09-29 US disclosed
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-12-27 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 (4 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-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 CHRM1 353/4885CHRM3 903/4885SMN1; SMN2 1082/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 CHRM1 440/4885CHRM3 1142/4885SMN1; SMN2 1033/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 CHRM1 353/4885CHRM3 903/4885SMN1; SMN2 1082/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 CHRM1 353/4885CHRM3 903/4885SMN1; SMN2 1082/4885

“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.