SCHEMBL2234153

SCHEMBL2234153

CN1CC(N(C(=O)O)C(C)(C)C)C(=O)Nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
BRD4 O60885 2/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
TSPO P30536 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2234145 1.00 KMT2A (0.37) KMT2AMEN1BRD4ALDH1A1KDM4E
SCHEMBL2234414 0.83 ALOX12 (0.49) BRD4ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL17312786 0.79 RIPK1 (0.39) BRD4
SCHEMBL2235808 0.79 RIPK1 (0.39) BRD4
SCHEMBL9990742 0.77 RIPK1 (0.39) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL17312584 0.77 RIPK1 (0.39) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL17312583 0.77 RIPK1 (0.39) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL2362101 0.75 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2404090 0.75 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2281716 0.75 PYGL (0.43) MAPTNPC1

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-9556152-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-31 US disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 US disclosed
US-7994161-B2 Derivatives of 2-alkoxy-3,4,5-trihydroxy-alkyl amides, preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 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-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP3K3 KMT2A 224/4885MEN1 1587/4885BRD4 273/4885

“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.