Iodide

Iodide

SCHEMBL5892501

C=CC[n+]1c(C)oc2ccc3ccccc3c21.[I-]

nearest known ligand 0.43

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
▸ KDM4E B2RXH2 6/20 0.43
▸ MAPT P10636 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ HNF4A P41235 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33

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
SCHEMBL8021802 0.81 KDM4E (0.41) KDM4EMAPTNPC1RAB9ATDP1
Perchlorate SCHEMBL7250930 0.76 KDM4E (0.41) KDM4EMAPTNPC1RAB9ATDP1
Iodide SCHEMBL5892415 0.73 KDM4E (0.40) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
Iodide SCHEMBL7114184 0.72 KDM4E (0.43) KDM4EMAPTRAB9ATDP1MEN1
SCHEMBL7254059 0.70 KDM4E (0.53) KDM4EMAPTNPC1RAB9ATDP1
Hydrochloric Acid SCHEMBL460640 0.66 KDM4E (0.42) KDM4EMAPTTDP1APEX1ALDH1A1
SCHEMBL8385263 0.65 KDM4E (0.50) KDM4EMAPTNPC1RAB9ATDP1
SCHEMBL6403566 0.63 GAA (0.48) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL460353 0.63 KDM4E (0.49) KDM4ETDP1HTTSMN1; SMN2ALDH1A1
Bromide SCHEMBL4272661 0.62 GAA (0.47) KDM4EMAPTNPC1RAB9AMEN1

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-20030145394-A1 Helium-neon excitable reticulocyte dyes derivable from halolepidines WANG NAI-YI (US) 2003-08-07 — — US claimed
EP-0944672-B1 HELIUM-NEON EXCITABLE RETICULOCYTE DYES DERIVABLE FROM HALOLEPIDINES ABBOTT LAB (US) 2002-09-04 — — EP claimed
EP-0944672-A1 HELIUM-NEON EXCITABLE RETICULOCYTE DYES DERIVABLE FROM HALOLEPIDINES Abbott Laboratories (US) 1999-09-29 — — EP claimed
WO-1998026007-A1 HELIUM-NEON EXCITABLE RETICULOCYTE DYES DERIVABLE FROM HALOLEPIDINES ABBOTT LABORATORIES (US) 1998-06-18 — — WO claimed
US-7083982-B2 Helium-neon excitable reticulocyte dyes derivable from halolepidines ABBOTT LABORATORIES (US) 2006-08-01 — — US disclosed
US-20030145394-A1 Helium-neon excitable reticulocyte dyes derivable from halolepidines WANG NAI-YI (US) 2003-08-07 — — US disclosed
US-6495692-B1 A METHOD FOR SYNTHESIZING DYES EXCITABLE BY A HELIUM-NEON LASER (EXCITABLE AT 633 NM) FROM HOLOLEPIDINES, E. G., 7-HALOLEPIDINE, WHICH DYES ARE SUITABLE FOR THE DETECTION AND ENUMERATION OF RETICULOCYTES IN HUMAN BLOOD SAMPLES. ABBOTT LABORATORIES 2002-12-17 — — US disclosed
EP-0944672-B1 HELIUM-NEON EXCITABLE RETICULOCYTE DYES DERIVABLE FROM HALOLEPIDINES ABBOTT LAB (US) 2002-09-04 — — EP disclosed
EP-0944672-A1 HELIUM-NEON EXCITABLE RETICULOCYTE DYES DERIVABLE FROM HALOLEPIDINES Abbott Laboratories (US) 1999-09-29 — — EP disclosed
WO-1998026007-A1 HELIUM-NEON EXCITABLE RETICULOCYTE DYES DERIVABLE FROM HALOLEPIDINES ABBOTT LABORATORIES (US) 1998-06-18 — — 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-20030145394-A1 Helium-neon excitable reticulocyte dyes derivable from halolepidines HCLS1, HNRNPH3, HBG2 KDM4E 2799/4885MAPT 3052/4885NPC1 2102/4885

“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.

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