SCHEMBL19710550

SCHEMBL19710550

CC[C@@H](CCCCN)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.69
CA1 P00915 4/20 0.69
CPB2 Q96IY4 7/20 0.49
GSR P00390 1/20 0.43
MAPK1 P28482 1/20 0.43
RNPEP Q9H4A4 1/20 0.42
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39

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
SCHEMBL7559158 1.00 CA2 (0.69) CA2CA1CPB2GSRMAPK1
SCHEMBL7852802 0.93 CA2 (0.72) CA2CA1CPB2GSRMAPK1
SCHEMBL277393 0.84 CA2 (0.87) CA2CA1MAPK1
SCHEMBL7748769 0.84
SCHEMBL29479266 0.83 CA2 (0.64) CA2CA1CPB2MAPK1GNAI3
SCHEMBL24635138 0.83 CA2 (0.69) CA2CA1MAPK1
SCHEMBL3628614 0.83 CA2 (0.83) CA2CA1MAPK1
SCHEMBL3859929 0.83 CA2 (0.83) CA2CA1MAPK1
Hydrochloric Acid SCHEMBL8533142 0.83 CA2 (0.83) CA2CA1MAPK1
SCHEMBL1668977 0.83 CA2 (0.83) CA2CA1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
US-20120165275-A1 Nitrogen-Based Linkers for Attaching Modifying Groups to Polypeptides and Other Macromolecules AFFYMAX, INC. (US) 2012-06-28 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 (3 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-20120165275-A1 Nitrogen-Based Linkers for Attaching Modifying Groups to Polypeptides and Other Macromolecules DNPEP, NGLY1, LNPEP CA2 4362/4885CA1 1155/4885CPB2 1075/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 CA2 1680/4885CA1 3908/4885CPB2 4469/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 CA2 1550/4885CA1 3738/4885CPB2 3677/4885

“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.