SCHEMBL368243

SCHEMBL368243

CC(C)(C)OC(=O)NCCOCCOc1cc([N+](=O)[O-])ccc1-n1cnc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.41
CNR2 P34972 3/20 0.41
RAB9A P51151 2/20 0.40
BRD4 O60885 2/20 0.39
NPC1 O15118 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
SCN9A Q15858 1/20 0.36
ALOX5 P09917 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35

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
SCHEMBL370187 0.92 RAB9A (0.48) RAB9ABRD4NPC1POLBMEN1
SCHEMBL360325 0.83 RAB9A (0.49) BCHECNR2RAB9ABRD4NPC1
SCHEMBL10279324 0.80 S1PR4 (0.38) RAB9ANPC1KMT2ATLR2TLR1
SCHEMBL368871 0.80 RAB9A (0.37) BCHERAB9ANPC1KMT2AGABRA1
SCHEMBL12448302 0.80 ALDH1A1 (0.52) BCHECNR2RAB9ANPC1KDM4E
SCHEMBL1669861 0.80 ALDH1A1 (0.47) BCHECNR2RAB9ANPC1KDM4E
SCHEMBL25292305 0.79 BCHE (0.46) BCHECNR2RAB9ABRD4NPC1
SCHEMBL368643 0.79 RAB9A (0.45) RAB9ANPC1MEN1KMT2ATLR2
SCHEMBL12519574 0.78 S1PR4 (0.49) BCHECNR2RAB9ABRD4NPC1
SCHEMBL22371541 0.76 BCHE (0.45) BCHECNR2BRD4POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
EP-2593461-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-05-22 EP disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
WO-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 WO disclosed
WO-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 WO 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-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP BCHE 15/4885CNR2 3497/4885RAB9A 1822/4885

“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.