Sugi Predict

Sugi Predict / Compounds / SCHEMBL368171

SCHEMBL368171

SCHEMBL368171

Cc1ncn(-c2ccc([N+](=O)[O-])cc2OCCCC(C)Nc2nc(Cl)nc3c2CCC3c2ccc(F)cc2F)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 8/20 0.39
▸ PSEN2 P49810 8/20 0.39
▸ APH1B Q8WW43 8/20 0.39
▸ NCSTN Q92542 8/20 0.39
▸ APH1A Q96BI3 8/20 0.39
▸ PSENEN Q9NZ42 8/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ UGT1A1 P22309 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SLCO1B1 Q9Y6L6 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
SCHEMBL360454 0.90 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL368366 0.89 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10356613 0.89 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
Ammonia Solution, Strong SCHEMBL10325228 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10353230 0.79 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10279839 0.79 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10357076 0.78 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18023132 0.78 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10279331 0.77 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10324668 0.77 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A

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 7 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
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

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 PSEN1 5/4885PSEN2 7/4885APH1B 10/4885

“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.