Iodide

Iodide

SCHEMBL6136762

CC(C)(C)c1cc(NC(=O)c2csc(-c3ccc(NCC4=CC=CS4=N)cc3)n2)cc(C(C)(C)C)c1O.I

nearest known ligand 0.41

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
SCN10A Q9Y5Y9 1/20 0.41
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
NR1H4 Q96RI1 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDE P14735 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL7611372 0.99 SCN10A (0.41) SCN10AMAPTLMNAMAPK1TDP1
Hydrochloric Acid SCHEMBL6136587 0.98 SCN10A (0.41) SCN10AMAPTLMNAMAPK1TDP1
SCHEMBL4313554 0.76 SCN10A (0.54) SCN10AMAPTLMNAMAPK1TDP1
Iodide SCHEMBL6136629 0.75 GPX4 (0.38) MAPTTDP1NPSR1NR1H4GAA
Iodide SCHEMBL4310060 0.75 TDP1 (0.48) SCN10AMAPTLMNAMAPK1TDP1
SCHEMBL5852597 0.74 GPX4 (0.38) MAPTTDP1NPSR1NR1H4GAA
SCHEMBL4310913 0.74 TDP1 (0.49) SCN10AMAPTLMNAMAPK1TDP1
Hydrochloric Acid SCHEMBL4322383 0.73 TDP1 (0.48) SCN10AMAPTLMNAMAPK1TDP1
SCHEMBL4315851 0.73 RAB9A (0.51) SCN10AMAPTLMNAMAPK1TDP1
SCHEMBL7612304 0.71 ALDH1A1 (0.33) MAPTTDP1GAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991654-B1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOD CONSEILS RECH APPLIC (FR) 2005-06-15 EP claimed
US-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-04-11 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-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia XDH, NOS2, NOS3 SCN10A 663/4885MAPT 2317/4885LMNA 2140/4885

“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.