SCHEMBL370187

SCHEMBL370187

CC(C)(C)OC(=O)NCCCOc1cc([N+](=O)[O-])ccc1-n1cnc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
BRD4 O60885 1/20 0.44
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
CPB2 Q96IY4 2/20 0.39
NPC1 O15118 3/20 0.39
POLB P06746 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN9A Q15858 1/20 0.37
STK17B O94768 1/20 0.37

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
SCHEMBL368243 0.92 BCHE (0.41) RAB9ABRD4CA12CA1CA2
SCHEMBL368643 0.85 RAB9A (0.45) RAB9ANPC1MEN1KMT2ACYP2D6
SCHEMBL368871 0.84 RAB9A (0.37) RAB9ACPB2NPC1GABRA1GABRG2
SCHEMBL360813 0.82 RAB9A (0.60) RAB9ABRD4CA12CA1CA2
SCHEMBL368182 0.82 BRD4 (0.48) RAB9ABRD4CA12CA1CA2
SCHEMBL362145 0.79 BRD4 (0.49) RAB9ABRD4CA12CA1CA2
SCHEMBL10279322 0.79 MAPT (0.41) RAB9ANPC1KMT2ACYP2D6CYP2C19
SCHEMBL4014293 0.77 RAB9A (0.68) RAB9ACA12CA1CA2CA9
SCHEMBL10352918 0.77 RAB9A (0.50) RAB9ABRD4CA12CA1CA2
SCHEMBL362431 0.76 RAB9A (0.49) RAB9ABRD4CA12CA1CA2

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 1822/4885BRD4 3390/4885CA12 2351/4885

“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.