SCHEMBL13806285

SCHEMBL13806285

COc1cc(CN(CC2=NCCN2CC(OC)OC)Cc2nccn2CC(OC)OC)cc(OC)c1OC

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ THRB P10828 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PTAFR P25105 1/20 0.31
▸ CHRM4 P08173 1/20 0.30
▸ ADRA2C P18825 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
SCHEMBL12977550 0.88 PTGS2 (0.36) KDM4ETDP1ALDH1A1POLBTHRB
SCHEMBL12977563 0.80 PTGS2 (0.37) KDM4ETDP1ALDH1A1POLBTHRB
SCHEMBL13382183 0.69 MEN1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL16213757 0.67 RAB9A (0.39) KDM4ETDP1MEN1ALDH1A1KMT2A
SCHEMBL13377490 0.64 HPGD (0.32) —
SCHEMBL12977543 0.60 ADRA2C (0.37) KDM4ETDP1MEN1ALDH1A1KMT2A
SCHEMBL13002584 0.59 HTT (0.39) ALDH1A1LMNA
SCHEMBL15834887 0.58 HPGD (0.37) KDM4ETDP1MEN1ALDH1A1KMT2A
SCHEMBL15501032 0.58 ARG1 (0.33) —
SCHEMBL11335439 0.57 HTR2A (0.58) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090148382-A1 Technetium- and rhenium-bis(heteroaryl) complexes, and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-06-11 — — US disclosed
US-20080025915-A1 Technetium-And Rhenium-Bis (Heteroaryl) Complexes, And Methods Of Use Thereof CITIZENS BANK, N.A. 2008-01-31 — — 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-20090148382-A1 Technetium- and rhenium-bis(heteroaryl) complexes, and methods of use thereof QPCT, SLC7A5, RAB35 KDM4E 2670/4885TDP1 3103/4885MEN1 92/4885
US-20080025915-A1 Technetium-And Rhenium-Bis (Heteroaryl) Complexes, And Methods Of Use Thereof SLC7A5, RAB35, AADAT KDM4E 1882/4885TDP1 2995/4885MEN1 89/4885

“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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