SCHEMBL3293164

SCHEMBL3293164

O=C(O)CN(Cc1ccccc1O)CC(Cc1ccc(NC(=O)CBr)cc1)N(CC(=O)O)Cc1ccccc1O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ CA1 P00915 7/20 0.35
▸ CA2 P00918 7/20 0.35
▸ BCHE P06276 5/20 0.35
▸ ACHE P22303 5/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CA4 P22748 2/20 0.34
▸ RORC P51449 1/20 0.34

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
SCHEMBL13003571 0.89 KMT2A (0.40) MEN1KMT2AHIF1ATSHR
SCHEMBL13309981 0.87 TGM2 (0.40) MEN1KMT2AHIF1ABCHEACHE
SCHEMBL14291194 0.86 AKR1B1 (0.40) MEN1KMT2ATSHR
SCHEMBL3293230 0.83 AKR1B1 (0.35) MEN1KMT2ACA1CA2ACHE
SCHEMBL7170464 0.83 KMT2A (0.43) MEN1KMT2AHIF1ACA1CA2
SCHEMBL2538468 0.83 KMT2A (0.43) MEN1KMT2AHIF1ACA1CA2
SCHEMBL13293957 0.80 KCNH2 (0.40) MEN1KMT2A
SCHEMBL14291204 0.79 AKR1B1 (0.35) MEN1KMT2ATSHR
SCHEMBL437799 0.77 KMT2A (0.41) MEN1KMT2AHIF1ACA1CA2
SCHEMBL443090 0.77 KMT2A (0.41) MEN1KMT2AHIF1ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334320-B2 Methods for chelation therapy UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-12-18 — — US disclosed
US-20100310460-A1 COMPOSITIONS AND METHODS FOR CHELATION THERAPY LIU GANG 2010-12-09 — — US disclosed
US-7728038-B2 Methods for chelation therapy UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-06-01 — — US disclosed
US-20060030619-A1 Compositions and methods for chelation therapy UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2006-02-09 — — 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-20100310460-A1 COMPOSITIONS AND METHODS FOR CHELATION THERAPY SOST, SOD3, HIF1AN MEN1 2161/4885KMT2A 1252/4885HIF1A 17/4885
US-20060030619-A1 Compositions and methods for chelation therapy SOST, SOD3, HIF1AN MEN1 2161/4885KMT2A 1252/4885HIF1A 17/4885

“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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