SCHEMBL361193

SCHEMBL361193

N#Cc1ccc(N)cc1OCCCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
USP2 O75604 2/20 0.47
HPGD P15428 2/20 0.40
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
PGGT1B P53609 3/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
AR P10275 2/20 0.35
XDH P47989 1/20 0.35
LMNA P02545 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
SCHEMBL16943311 0.85 KDM4E (0.49) ALDH1A1KDM4EUSP2HPGDFNTA
SCHEMBL6431488 0.81 KDM4E (0.56) ALDH1A1KDM4EUSP2HPGDMAPT
SCHEMBL10356883 0.79 ALDH1A1 (0.42) ALDH1A1HPGDFNTAFNTBPGGT1B
SCHEMBL25384701 0.78 KDM4E (0.49) ALDH1A1KDM4EUSP2MAPTGAA
SCHEMBL5641509 0.78 KDM4E (0.45) ALDH1A1KDM4EUSP2HPGDFNTA
SCHEMBL1940230 0.78 KDM4E (0.56) ALDH1A1KDM4EUSP2HPGDMAPT
SCHEMBL4485604 0.77 FNTA (0.55) ALDH1A1KDM4EUSP2FNTAFNTB
SCHEMBL361631 0.77 VCAM1 (0.46) ALDH1A1HPGDMAPTHTTKMT2A
SCHEMBL28051182 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EUSP2HPGDMAPT
SCHEMBL18034624 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2HPGDMAPT

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
CN-102971325-B For reducing the compound that amyloid-beta produces BRISTOL-MYERS SQUIBB CO. (US) 2016-01-20 CN 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 ALDH1A1 1538/4885KDM4E 4656/4885USP2 3621/4885

“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.