SCHEMBL20890554

SCHEMBL20890554

CCN(CC)Cc1cc(C(C)C)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ACHE P22303 2/20 0.38
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LIN28A Q9H9Z2 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CCR4 P51679 4/20 0.33
▸ RXRA P19793 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ APEX1 P27695 1/20 0.32

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
SCHEMBL20889904 0.83 KDM4E (0.34) KDM4ETSHRACHEHSP90AA1HSP90AB1
SCHEMBL16477887 0.82 RXRA (0.37) KDM4ESMN1; SMN2RXRAGRIN1GRIN2B
SCHEMBL11994370 0.80 CYP1A2 (0.46) KDM4ETSHRRXRAGRIN1GRIN2B
SCHEMBL20909886 0.77 UHRF1 (0.43) KDM4EMAPTTDP1SMN1; SMN2LIN28A
SCHEMBL20889902 0.77 NOS3 (0.50) KDM4ETSHRACHEMAPTTDP1
SCHEMBL13533992 0.77 KDM4E (0.50) KDM4ETSHRMAPTRXRAGRIN1
SCHEMBL3184879 0.75 MAPT (0.36) KDM4ETSHRACHEMAPTTDP1
SCHEMBL8265623 0.75 ALDH1A1 (0.46) KDM4EMAPTTDP1HRH3CCR4
SCHEMBL3507581 0.74 TLR9 (0.38) KDM4ETSHRSMN1; SMN2RXRAGRIN1
SCHEMBL21705891 0.74 RXRA (0.35) RXRAGRIN1GRIN2BALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 — — 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 (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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 KDM4E 795/4885TSHR 4456/4885ACHE 4746/4885

“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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