SCHEMBL16444546

SCHEMBL16444546

Nc1cccnc1N[C@H]1CC[C@H](NC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPK14 Q16539 1/20 0.40
SMYD3 Q9H7B4 2/20 0.39
PDE4B Q07343 1/20 0.38
BTK Q06187 5/20 0.38
SYK P43405 1/20 0.38
HCAR3 P49019 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 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
SCHEMBL16444545 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EGAAMAPK14SMYD3
SCHEMBL5958267 0.86 UTS2R (0.43) KDM4EGAASYKCA12CA1
SCHEMBL15289254 0.81 BTK (0.52) BTKSYK
SCHEMBL15965809 0.80 KDM4E (0.52) KDM4EGAA
SCHEMBL16444050 0.79 ALDH1A1 (0.50) ALDH1A1HCAR3
SCHEMBL16444049 0.79 ALDH1A1 (0.50) ALDH1A1HCAR3
SCHEMBL16444047 0.79 ALDH1A1 (0.50) ALDH1A1HCAR3
SCHEMBL21093636 0.79 KDM4E (0.55) ALDH1A1KDM4EGAA
SCHEMBL19851082 0.79 KDM4E (0.55) ALDH1A1KDM4EGAA
SCHEMBL5778944 0.79 KDM4E (0.55) ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340549-B2 Oxazolidinone compounds and derivatives thereof AMGEN INC. (US) 2016-05-17 US disclosed
US-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. 2015-02-12 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-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF TNKS1BP1, TNKS, TBKBP1 ALDH1A1 1646/4885KDM4E 1142/4885GAA 264/4885

“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.