Iodide

Iodide

SCHEMBL7114184

C=CC[n+]1c(C)sc2ccc3ccccc3c21.[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 5/20 0.43
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ITGB2 P05107 2/20 0.36
▸ ITGAM P11215 2/20 0.36
▸ MAPT P10636 6/20 0.33
▸ PRNP P04156 1/20 0.33
▸ TSHR P16473 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL4830357 0.81 KDM4E (0.55) KDM4ERAB9AMEN1PKMMAPK1
Perchlorate SCHEMBL7256390 0.76 KDM4E (0.50) KDM4ERAB9AMEN1PKMMAPK1
SCHEMBL16791363 0.73 ITGB2 (0.51) KDM4ERAB9AMEN1PKMMAPK1
Iodide SCHEMBL1326180 0.73 MAPT (0.53) KDM4ERAB9AMEN1PKMMAPK1
Iodide SCHEMBL5892553 0.73 MAPT (0.53) KDM4ERAB9AMEN1PKMMAPK1
SCHEMBL7252269 0.72 KDM4E (0.56) KDM4ERAB9AMEN1PKMMAPK1
SCHEMBL31623888 0.72 KDM4E (0.56) KDM4ERAB9AMEN1PKMMAPK1
Iodide SCHEMBL5892501 0.72 KDM4E (0.43) KDM4ERAB9AMEN1KMT2ATDP1
SCHEMBL9433682 0.71 MAPT (0.54) KDM4ERAB9AMEN1PKMMAPK1
Water SCHEMBL10949547 0.70 MAPT (0.33) KDM4ERAB9AMEN1PKMMAPK1

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 8 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-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 2799/4885RAB9A 381/4885MEN1 4757/4885

“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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