SCHEMBL12736178

SCHEMBL12736178

N=C(N)c1ccc2oc(/C=C/c3cc4cc(C5=NCCN5)ccc4o3)cc2c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 15/20 0.69
▸ PRMT3 O60678 1/20 0.45
▸ EHMT2 Q96KQ7 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ PRMT8 Q9NR22 1/20 0.45

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
SCHEMBL8425061 0.91 PRMT1 (0.71) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8235643 0.87 PRMT1 (0.88) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8235621 0.87 PRMT1 (0.88) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL12735725 0.83 PRMT1 (0.79) PRMT1
SCHEMBL12711215 0.82 PRMT1 (0.79) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL20184751 0.82 PRMT1 (1.00) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8238368 0.81 PRMT1 (0.77) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8815310 0.79 PRMT1 (0.88) PRMT1
SCHEMBL17084488 0.79 PRMT1 (0.88) PRMT1
SCHEMBL7979972 0.79 PRMT1 (0.88) PRMT1

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-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins BAVARI SINA 2011-04-14 — — 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-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 PRMT1 2768/4885PRMT3 2069/4885EHMT2 4668/4885

“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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