SCHEMBL20799447

SCHEMBL20799447

COc1ccc(C(OCCNC(=O)C(C)N)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KIF11 P52732 6/20 0.49
▸ SLC6A1 P30531 2/20 0.45
▸ SLC6A11 P48066 1/20 0.45
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ CARM1 Q86X55 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL23777331 0.78 SLC6A11 (0.47) ALDH1A1NPSR1SLC6A1SLC6A11NPC1
SCHEMBL3931384 0.78 SLC6A11 (0.48) ALDH1A1KIF11SLC6A1SLC6A11SMN1; SMN2
SCHEMBL28349292 0.77 GAA (0.43) ALDH1A1NPSR1SLC6A1SLC6A11CTSL
SCHEMBL20996163 0.76 GAA (0.42) ALDH1A1NPSR1SLC6A1SLC6A11CTSL
SCHEMBL20996162 0.76 GAA (0.42) ALDH1A1NPSR1SLC6A1SLC6A11CTSL
SCHEMBL21610288 0.76 SLC6A11 (0.45) ALDH1A1NPSR1SLC6A1SLC6A11NPC1
SCHEMBL1895560 0.76 SLC6A11 (0.51) KIF11SLC6A1SLC6A11
SCHEMBL16639379 0.75 HDAC6 (0.45) ALDH1A1KIF11SLC6A1SLC6A11NPC1
SCHEMBL524569 0.75 SLC6A11 (0.47) ALDH1A1NPSR1KIF11SLC6A1SLC6A11
SCHEMBL30861823 0.75 SLC6A11 (0.53) NPSR1KIF11SLC6A1SLC6A11NPC1

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-10227588-B2 3′end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2019-03-12 — — 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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 ALDH1A1 4223/4885NPSR1 3794/4885KIF11 2009/4885

“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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