SCHEMBL19430371

SCHEMBL19430371

CC(C)N1NCc2c(C(=O)NCC3COC3)cc(-c3cccc(CN(C)CCN)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 6/20 0.39
▸ ACACB O00763 3/20 0.37
▸ ACACA Q13085 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MTOR P42345 4/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ NAPEPLD Q6IQ20 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ AVPR1B P47901 1/20 0.31

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
SCHEMBL19429836 0.86 AOC3 (0.35) AOC3ACACBACACACYP1A2CYP3A4
SCHEMBL19430088 0.86 AOC3 (0.35) AOC3ACACBACACACYP1A2CYP3A4
SCHEMBL19430363 0.86 AOC3 (0.35) AOC3ACACBACACACYP1A2CYP3A4
SCHEMBL19430062 0.86 AOC3 (0.40) AOC3MTORPRMT6KMT2A
SCHEMBL19429824 0.86 AOC3 (0.43) AOC3MTORPRMT6NAPEPLDKMT2A
SCHEMBL19430193 0.86 AOC3 (0.37) AOC3ACACBACACACYP1A2CYP3A4
SCHEMBL19430181 0.86 AOC3 (0.38) AOC3PRMT6KMT2A
SCHEMBL19429847 0.85 HTT (0.37) AOC3
SCHEMBL19429904 0.85 KLKB1 (0.39) AOC3CYP2C9WDR5ALDH1A1
SCHEMBL19430013 0.85 AOC3 (0.37) AOC3

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-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 — — 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-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 AOC3 2654/4885ACACB 1192/4885ACACA 1170/4885

“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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