SCHEMBL16280384

SCHEMBL16280384

C=C(Cn1cc(-c2ccccc2)nn1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.54
XPO1 O14980 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CYP19A1 P11511 1/20 0.46
HDAC3 O15379 5/20 0.44
HDAC4 P56524 5/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 0.44

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
SCHEMBL28397299 0.84 SRC (0.59) SRCNPC1RAB9AMEN1KMT2A
SCHEMBL26328679 0.77 SRC (0.62) SRCNPC1RAB9AMEN1KMT2A
SCHEMBL11815716 0.76 SRC (0.61) SRCNPC1RAB9AMEN1KMT2A
SCHEMBL22959003 0.76 SRC (0.58) SRCNPC1RAB9AMEN1KMT2A
SCHEMBL13307575 0.75 POLB (0.53) SRCNPC1RAB9AMEN1KMT2A
SCHEMBL30556704 0.74 SRC (0.58) SRCNPC1RAB9AMEN1KMT2A
SCHEMBL5328882 0.73 CYP1A2 (0.59) SRCNPC1RAB9AMEN1KMT2A
SCHEMBL15863726 0.73 SRC (0.82) SRCMEN1KMT2ACASP3SENP8
SCHEMBL15058531 0.72 SRC (0.53) SRCNPC1RAB9AMEN1KMT2A
SCHEMBL13172900 0.72 SRC (0.52) SRCHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793900-B1 ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS ARES TRADING SA (CH) 2018-08-22 EP disclosed
CN-104321060-B Alpha-amino boronic acid derivative, selective immunoproteasome inhibitor 阿雷斯贸易股份有限公司 2018-08-07 CN disclosed
US-9688702-B2 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING (CH) 2017-06-27 US disclosed
CN-104321060-A Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING SA 2015-01-28 CN disclosed
US-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING SA (CH) 2014-12-11 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-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors PSMB7, PSMA7, PSMB1 SRC 4219/4885XPO1 798/4885NPC1 2065/4885

“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.