SCHEMBL12735725

SCHEMBL12735725

N=C(N)c1ccc2[nH]c(/C=C/c3cc4ccc(C5=NCCN5)cc4o3)cc2c1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 16/20 0.79

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 0.93 PRMT1 (0.71) PRMT1
SCHEMBL8229715 0.89 PRMT1 (1.00) PRMT1
SCHEMBL20184764 0.84 PRMT1 (1.00) PRMT1
SCHEMBL8238374 0.83 PRMT1 (1.00) PRMT1
SCHEMBL12736178 0.83 PRMT1 (0.69) PRMT1
SCHEMBL8235629 0.82 PRMT1 (0.86) PRMT1
SCHEMBL8235330 0.79 PRMT1 (1.00) PRMT1
SCHEMBL8229704 0.78 PRMT1 (1.00) PRMT1
SCHEMBL8235636 0.76 PRMT1 (1.00) PRMT1
SCHEMBL14854560 0.72 PRMT1 (0.62) 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 2768/4885

“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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