Iodide

Iodide

SCHEMBL1019297

C[N+]1(C)CCN(c2ccc(C(=O)NN)cc2)CC1.[I-]

nearest known ligand 0.58

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
▸ CHRNA10 Q9GZZ6 9/20 0.58
▸ CHRNA9 Q9UGM1 9/20 0.58
▸ CHRNA7 P36544 7/20 0.58
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ APOBEC3A P31941 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CHRNB2 P17787 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL3085835 0.84 AOC2 (0.59) MEN1PMP22KMT2ASMN1; SMN2HIF1A
SCHEMBL30476653 0.80 HDAC6 (0.71) MEN1PMP22KMT2ASMN1; SMN2HIF1A
SCHEMBL5639759 0.80 HDAC3 (0.68) MEN1KMT2ASMN1; SMN2HDAC3HDAC8
Hydrochloric Acid SCHEMBL25319983 0.79 HDAC6 (0.69) MEN1PMP22KMT2ASMN1; SMN2HIF1A
SCHEMBL7337653 0.79 HDAC6 (0.69) MEN1KMT2ASMN1; SMN2KDM4EALOX15
SCHEMBL12524169 0.78 HDAC6 (0.61) MEN1POLBKMT2ASMN1; SMN2KDM4E
SCHEMBL20456242 0.76 CTSL (0.51) MEN1PMP22KMT2ASMN1; SMN2HIF1A
SCHEMBL20456264 0.75 AOC2 (0.50) MEN1POLBPMP22KMT2ASMN1; SMN2
SCHEMBL24202299 0.73 HDAC6 (0.56) MEN1POLBKMT2ASMN1; SMN2KDM4E
SCHEMBL4073782 0.73 SMYD3 (0.48) PMP22HIF1AKDM4ECYP3A4AOC2

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-3524347-A1 USE OF METAL HYDRAZIDE COMPLEX COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2019-08-14 — — EP disclosed
EP-2271426-B1 USE OF HYDRAZIDE COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2019-02-20 — — EP disclosed
US-8791298-B2 Use of metal hydrazide complex compounds as oxidation catalysts BASF SE (DE) 2014-07-29 — — US disclosed
US-20130281353-A1 Use of Metal Hydrazide Complex Compounds as Oxidation Catalysts BASF SE (DE) 2013-10-24 — — US disclosed
US-8492324-B2 Use of metal hydrazide complex compounds as oxidation catalysts BASF SE (DE) 2013-07-23 — — US disclosed
US-20110071066-A1 USE OF METAL HYDRAZIDE COMPLEX COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2011-03-24 — — US disclosed
EP-2271426-A1 USE OF METAL HYDRAZIDE COMPLEX COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2011-01-12 — — EP disclosed
WO-2009124855-A1 USE OF METAL HYDRAZIDE COMPLEX COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2009-10-15 — — WO 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-20110071066-A1 USE OF METAL HYDRAZIDE COMPLEX COMPOUNDS AS OXIDATION CATALYSTS SOD1, H1-4, H1-5 CHRNA10 3034/4885CHRNA9 3739/4885CHRNA7 3932/4885

“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.

Send feedback