SCHEMBL360325

SCHEMBL360325

CC(C)(C)OC(=O)NCCOCCOc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
BCHE P06276 3/20 0.46
CNR2 P34972 3/20 0.46
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 2/20 0.41
ALOX5 P09917 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
BRD4 O60885 1/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL360813 0.90 RAB9A (0.60) RAB9ANPC1MEN1KMT2AIDO1
SCHEMBL12448302 0.88 ALDH1A1 (0.52) RAB9ABCHECNR2KDM4ENPC1
SCHEMBL1669861 0.88 ALDH1A1 (0.47) RAB9ABCHECNR2KDM4ENPC1
SCHEMBL25292305 0.87 BCHE (0.46) RAB9ABCHECNR2KDM4ENPC1
SCHEMBL12519574 0.85 S1PR4 (0.49) RAB9ABCHECNR2KDM4ENPC1
SCHEMBL4014293 0.85 RAB9A (0.68) RAB9ANPC1MEN1KMT2AIDO1
SCHEMBL368243 0.83 BCHE (0.41) RAB9ABCHECNR2KDM4ENPC1
SCHEMBL30498819 0.82 BCHE (0.52) BCHECNR2KDM4EMEN1KMT2A
SCHEMBL17162067 0.82 CA12 (0.57) BCHECNR2MEN1KMT2ACA12
SCHEMBL30693811 0.82 CA12 (0.57) BCHECNR2MEN1KMT2ACA12

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 10 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
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 RAB9A 1822/4885BCHE 15/4885CNR2 3497/4885

“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.