SCHEMBL12711180

SCHEMBL12711180

CC(=N)c1ccc2nc(/C=C/C=C/C=C/c3cc4cc(C(=N)N)ccc4o3)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 10/20 0.63
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ F12 P00748 3/20 0.36

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
SCHEMBL8422599 0.95 PRMT1 (0.70) PRMT1F2F10F12
SCHEMBL8229699 0.82 PRMT1 (0.86) PRMT1F2F10
SCHEMBL8229718 0.80 PRMT1 (0.89) PRMT1F2F10
SCHEMBL12711172 0.77 PRMT1 (0.65) PRMT1F2F10
SCHEMBL17084488 0.75 PRMT1 (0.88) PRMT1F2F10
SCHEMBL7979972 0.75 PRMT1 (0.88) PRMT1F2F10
SCHEMBL8815310 0.75 PRMT1 (0.88) PRMT1F2F10
SCHEMBL20184763 0.75 PRMT1 (1.00) PRMT1F2F10
SCHEMBL12412056 0.73 PRMT1 (1.00) PRMT1F2F10
SCHEMBL12711179 0.73 PRMT1 (0.53) PRMT1F2F10

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 2768/4885F2 521/4885F10 484/4885

“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.

Send feedback