Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL5405181

I.N=C(Nc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1)c1cccs1

nearest known ligand 0.62

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
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ MAPT P10636 6/20 0.54
▸ HTT P42858 5/20 0.54
▸ LMNA P02545 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 2/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ PTPN7 P35236 1/20 0.50
▸ PTPN12 Q05209 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4625924 0.99 MEN1 (0.60) MEN1KMT2AMAPTHTTLMNA
Iodide SCHEMBL6962501 0.84 L3MBTL1 (0.55) MEN1KMT2AMAPTHTTLMNA
SCHEMBL9040990 0.83 L3MBTL1 (0.56) MEN1KMT2AMAPTHTTLMNA
Iodide SCHEMBL5418758 0.83 NPC1 (0.50) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4628336 0.82 NPC1 (0.51) MEN1KMT2AMAPTHTTLMNA
SCHEMBL6868876 0.81 KMT2A (0.65) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4625755 0.81 KMT2A (0.65) MEN1KMT2AMAPTHTTLMNA
Hydrochloric Acid SCHEMBL5408274 0.81 KMT2A (0.64) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4627062 0.79 NPC1 (0.47) MEN1KMT2AHTTLMNARAB9A
SCHEMBL6838859 0.78 KMT2A (0.52) MEN1KMT2AMAPTLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186752-B2 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SCRAS (FR) 2007-03-06 — — US disclosed
US-20050197329-A1 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SCRAS 2005-09-08 — — US disclosed
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2005-02-03 — — 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-20050197329-A1 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 MEN1 1065/4885KMT2A 2652/4885MAPT 633/4885
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 MEN1 1145/4885KMT2A 2651/4885MAPT 744/4885

“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.