SCHEMBL367898

SCHEMBL367898

O=[N+]([O-])c1ccc(-n2cnc(Cl)c2)c(OCCCNc2nc(Cl)nc3c2CCC3c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 1/20 0.49
KCNH2 Q12809 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
PSEN1 P49768 5/20 0.32
PSEN2 P49810 5/20 0.32
APH1B Q8WW43 5/20 0.32
NCSTN Q92542 5/20 0.32
APH1A Q96BI3 5/20 0.32
PSENEN Q9NZ42 5/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CYP19A1 P11511 4/20 0.32
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 4/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32

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
SCHEMBL369543 0.94 UGT1A1 (0.48) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL369277 0.88 UGT1A1 (0.52) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL10279333 0.87 UGT1A1 (0.53) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL368226 0.85 UGT1A1 (0.46) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL361143 0.81 ALDH1A1 (0.35) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL368500 0.81 UGT1A1 (0.51) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL10353065 0.81 CYP19A1 (0.33) UGT1A1KCNH2SLCO1B1KMT2AMEN1
SCHEMBL10356245 0.81 UGT1A1 (0.51) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
Ammonia Solution, Strong SCHEMBL10325228 0.77 PSEN1 (0.49) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL10279839 0.75 PSEN1 (0.48) UGT1A1KCNH2SLCO1B1PSEN1PSEN2

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
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
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 UGT1A1 2634/4885KCNH2 4384/4885SLCO1B1 2215/4885

“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.