Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL4414352

C[n+]1ccn(Cn2cc[n+](C)c2)c1.[I-].[I-]

nearest known ligand 0.56

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 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ APAF1 O14727 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ PLA2G1B P04054 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ATG4B Q9Y4P1 1/20 0.50
▸ FDPS P14324 2/20 0.42
▸ LMNA P02545 1/20 0.40
▸ PON1 P27169 2/20 0.37

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
SCHEMBL988007 0.97 SMN1; SMN2 (0.52) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL4417695 0.95 SMN1; SMN2 (0.50) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Bromide SCHEMBL4416367 0.95 SMN1; SMN2 (0.55) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL6403529 0.82 — —
Iodide SCHEMBL410828 0.82 — —
SCHEMBL15136817 0.81 SMN1; SMN2 (0.63) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Iodide SCHEMBL899297 0.80 — —
Iodide SCHEMBL2530883 0.80 SMN1; SMN2 (0.74) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Water SCHEMBL17764770 0.79 SMN1; SMN2 (0.61) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL34729 0.79 — —

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-8247574-B2 Use of PT -and PD-BIS- and tetra-carbon complexes with bridged carbon ligands in OLEDs BASF SE (DE) 2012-08-21 — — US disclosed
US-20120169213-A1 PHOSPHORESCENT METAL COMPLEX COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND RADIATION EMITTING STRUCTURAL ELEMENT OSRAM AG (DE) 2012-07-05 — — US disclosed
US-20090326237-A1 USE OF PT-AND PD-BIS-AND TETRA-CARBON COMPLEXES WITH BRIDGED CARBON LIGANDS IN OLEDS BASF SE (DE) 2009-12-31 — — 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-20120169213-A1 PHOSPHORESCENT METAL COMPLEX COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND RADIATION EMITTING STRUCTURAL ELEMENT SLC39A14, SLC39A11, PICALM SMN1; SMN2 4152/4885MEN1 59/4885APAF1 1975/4885
US-20090326237-A1 USE OF PT-AND PD-BIS-AND TETRA-CARBON COMPLEXES WITH BRIDGED CARBON LIGANDS IN OLEDS PDCD1, PDCD1LG2, CD274 SMN1; SMN2 4711/4885MEN1 3251/4885APAF1 3107/4885

“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.