Iodomelatonin

Iodomelatonin

SCHEMBL29759473

COc1ccc2[nH]c([125I])c(CCNC(C)=O)c2c1

nearest known ligand 0.76

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.76
MTNR1B P49286 17/20 0.76
NQO2 P16083 3/20 0.74
CYP1A2 P05177 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2D6 P10635 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 2/20 0.74
TSHR P16473 1/20 0.74
KDM4E B2RXH2 2/20 0.73
ALDH1A1 P00352 2/20 0.73
HPGD P15428 2/20 0.73
HSD17B10 Q99714 2/20 0.73
POLB P06746 1/20 0.73
MDM2 Q00987 1/20 0.73

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
SCHEMBL31543713 0.86 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL5439854 0.86 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL31530479 0.86 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL8946916 0.86 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL31530480 0.86 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL3221458 0.85 KDM4E (0.84) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
Iodomelatonin SCHEMBL163451 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1311849 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1774151 0.85 NQO2 (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL8686010 0.84 MTNR1A (0.77) MTNR1AMTNR1BNQO2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119633001-A Application and method of gastrodin in preparation of MT1 agonist with selectivity 昆明理工大学 2025-03-18 CN claimed
CN-119633001-A Application and method of gastrodin in preparation of MT1 agonist with selectivity 昆明理工大学 2025-03-18 CN disclosed
CN-118575786-A Modeling method for insomnia of zebra fish and application of modeling method 杭州环特优检生物科技有限公司 2024-09-03 CN disclosed
CN-117794534-A Compositions for modulating cortisol homeostasis and improving sleep quality and methods of use and preparation thereof 尤尼根公司 2024-03-29 CN disclosed
US-20230052740-A1 MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-02-16 US disclosed
EP-4021574-A1 MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF The Regents of the University of California (US) 2022-07-06 EP 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-20230052740-A1 MODULATORS OF CIRCADIAN RHYTHMS AND USES THEREOF MTNR1A, PER2, MTNR1B MTNR1A 1/4885MTNR1B 3/4885NQO2 3236/4885

“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.