SCHEMBL362286

SCHEMBL362286

CC(C)(C)OC(=O)NCCCCOc1cc([N+](=O)[O-])ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
BRD4 O60885 1/20 0.46
RAB9A P51151 1/20 0.46
RECQL P46063 1/20 0.43
MGLL Q99685 2/20 0.41
CYP19A1 P11511 2/20 0.41
AAK1 Q2M2I8 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 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
SCHEMBL362431 0.97 RAB9A (0.49) CA12CA1CA2CA9BRD4
SCHEMBL7429642 0.83 MAPT (0.42) RAB9ARECQLALDH1A1MAPTTDP1
SCHEMBL10352578 0.82 CA12 (0.47) CA12CA1CA2CA9BRD4
SCHEMBL362743 0.82 RAB9A (0.52) RAB9ARECQLCYP19A1ALDH1A1MAPT
SCHEMBL360813 0.81 RAB9A (0.60) CA12CA1CA2CA9BRD4
SCHEMBL10355981 0.80 CA12 (0.50) CA12CA1CA2CA9RAB9A
SCHEMBL362429 0.80 CYP19A1 (0.38) RAB9ARECQLCYP19A1ALDH1A1MAPT
SCHEMBL10352918 0.79 RAB9A (0.50) CA12CA1CA2CA9BRD4
SCHEMBL25987718 0.79 CA12 (0.67) CA12CA1CA2CA9BRD4
SCHEMBL2854914 0.78 RECQL (0.46) BRD4RAB9ARECQLAAK1ALDH1A1

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 6 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
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
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 CA12 2351/4885CA1 727/4885CA2 2334/4885

“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.