SCHEMBL4198010

SCHEMBL4198010

CN1CC(NC(=O)O)C(=O)Nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
BRD4 O60885 1/20 0.39
RIPK1 Q13546 4/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PYGL P06737 1/20 0.39
PYGM P11217 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3914974 1.00 KMT2A (0.41) KMT2AL3MBTL1MEN1BRD4RIPK1
SCHEMBL4706295 0.83 EPHX2 (0.48) GAA
SCHEMBL4706300 0.83 EPHX2 (0.48) GAA
SCHEMBL12345847 0.83 EPHX2 (0.48) GAA
SCHEMBL1394234 0.83 RIPK1 (0.41) KMT2AL3MBTL1RIPK1GAAALDH1A1
SCHEMBL13312177 0.81 KDM4E (0.43) KMT2AL3MBTL1MEN1BRD4GAA
SCHEMBL3910690 0.80 EPHX2 (0.53) KMT2ABRD4RIPK1POLB
SCHEMBL542317 0.79 OPRM1 (0.48) KMT2AL3MBTL1MEN1GAAALDH1A1
SCHEMBL15956793 0.76 RIPK1 (0.57) RIPK1PYGLPYGM
SCHEMBL21307210 0.76 RIPK1 (0.72) RIPK1

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
EP-2956452-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2015-12-23 EP disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed
US-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-03-19 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-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME CYP4B1, AADAC, ALKBH3 KMT2A 1659/4885L3MBTL1 4856/4885MEN1 2393/4885

“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.