Iodide

Iodide

SCHEMBL1023007

COC(=O)c1ccc(-n2cc[n+](C)c2)cc1.[I-]

nearest known ligand 0.52

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
HTT P42858 2/20 0.52
ALDH1A1 P00352 5/20 0.46
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.40
FBP1 P09467 1/20 0.40
XDH P47989 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
HPGD P15428 2/20 0.39
FGFR1 P11362 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
Iodide SCHEMBL6849471 0.83 KMT2A (0.53) ALDH1A1TSHRMAPTSMN1; SMN2HPGD
SCHEMBL4625960 0.81 KMT2A (0.54) ALDH1A1TSHRMAPTSMN1; SMN2HPGD
SCHEMBL4624305 0.77 ALDH1A1 (0.45) ALDH1A1CA1CA2CA12CA9
SCHEMBL2240089 0.75 HTT (0.63) HTTALDH1A1CA1CA2CA12
Iodide SCHEMBL2530877 0.75 QDPR (0.34) TSHRHPGD
Hydrochloric Acid SCHEMBL6386993 0.74 HTT (0.48) HTTALDH1A1CA1CA2CA12
SCHEMBL14684755 0.74 CYP1A2 (0.48) HTTALDH1A1CA1CA2CA12
SCHEMBL6849554 0.74 KMT2A (0.46) ALDH1A1CA12CA9TSHRMAPT
Iodide SCHEMBL3568331 0.73 TSHR (0.56) ALDH1A1CA1CA2CA12CA7
Hydrochloric Acid SCHEMBL3854519 0.72 ALDH1A1 (0.61) HTTALDH1A1TSHRMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8384068-B2 Use of acridine derivatives as matrix materials and/or electron blockers in OLEDs BASF SE (DE) 2013-02-26 US disclosed
EP-2195868-B1 USE OF ACRIDINE DERIVATIVES AS MATRIX MATERIALS AND/OR AN ELECTRON BLOCKER IN OLEDS BASF SE (DE) 2013-01-02 EP disclosed
US-7989091-B2 Silanes containing phenothiazine-S-oxide or phenothiazine-S,S-dioxide groups and the use thereof in OLEDs BASF SE (DE) 2011-08-02 US disclosed
EP-2150556-B1 SILANES CONTAINING PHENOTHIAZINE-S-OXIDE OR PHENOTHIAZINE-S,S-DIOXIDE GROUPS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2011-01-12 EP disclosed
US-20100219406-A1 USE OF ACRIDINE DERIVATIVES AS MATRIX MATERIALS AND/OR ELECTRON BLOCKERS IN OLEDS BASF SE (DE) 2010-09-02 US disclosed
US-20100187980-A1 SILANES CONTAINING PHENOTHIAZINE-S-OXIDE OR PHENOTHIAZINE-S,S-DIOXIDE GROUPS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2010-07-29 US disclosed
EP-2195868-A1 USE OF ACRIDINE DERIVATIVES AS MATRIX MATERIALS AND/OR AN ELECTRON BLOCKER IN OLEDS Basf Se (DE) 2010-06-16 EP disclosed
EP-2150556-A1 SILANES CONTAINING PHENOTHIAZINE-S-OXIDE OR PHENOTHIAZINE-S,S-DIOXIDE GROUPS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2010-02-10 EP disclosed
WO-2009047147-A1 USE OF ACRIDINE DERIVATIVES AS MATRIX MATERIALS AND/OR AN ELECTRON BLOCKER IN OLEDS BASF SE (DE) 2009-04-16 WO disclosed
WO-2008132085-A1 SILANES CONTAINING PHENOTHIAZINE-S-OXIDE OR PHENOTHIAZINE-S,S-DIOXIDE GROUPS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2008-11-06 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-20100187980-A1 SILANES CONTAINING PHENOTHIAZINE-S-OXIDE OR PHENOTHIAZINE-S,S-DIOXIDE GROUPS AND THE USE THEREOF IN OLEDS OPRD1, PPID, PLOD2 HTT 137/4885ALDH1A1 980/4885CA1 4704/4885

“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.