SCHEMBL362429

SCHEMBL362429

CN(CCCOc1cc([N+](=O)[O-])ccc1C#N)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
LMNA P02545 3/20 0.38
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
BCHE P06276 5/20 0.36
ACHE P22303 5/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
VCAM1 P19320 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 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
SCHEMBL7429642 0.83 MAPT (0.42) LMNARECQLRAB9AALDH1A1MAPT
SCHEMBL10352919 0.82 CYP19A1 (0.39) CYP19A1AURKARPS6KB1LMNARAB9A
SCHEMBL31534607 0.81 RAB9A (0.45) CYP19A1LMNARAB9AALDH1A1MAPT
SCHEMBL8168728 0.81 LMNA (0.41) AURKARPS6KB1LMNARECQLRAB9A
SCHEMBL362431 0.80 RAB9A (0.49) RECQLRAB9AALDH1A1MAPTTSHR
SCHEMBL20576714 0.80 THRA (0.41) CYP19A1AURKARPS6KB1LMNARAB9A
SCHEMBL362286 0.80 CA12 (0.46) CYP19A1RECQLRAB9AALDH1A1MAPT
SCHEMBL25384073 0.79 CHRNB2 (0.54) CYP19A1LMNARECQLALDH1A1MAPT
SCHEMBL360826 0.78 ALDH1A1 (0.42) AURKARPS6KB1LMNARECQLRAB9A
SCHEMBL4009169 0.77 RAB9A (0.55) LMNARAB9AALDH1A1MAPTHPGD

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-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

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 CYP19A1 2385/4885AURKA 4243/4885RPS6KB1 1736/4885

“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.