SCHEMBL16504487

SCHEMBL16504487

CN(C(=O)O)c1ccc(C2OCCO2)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGS2 P35354 3/20 0.38
HCAR3 P49019 1/20 0.35
HTT P42858 2/20 0.35
ACHE P22303 3/20 0.34
BCHE P06276 2/20 0.34
ATM Q13315 1/20 0.34
KMT2A Q03164 3/20 0.33
CRHR1 P34998 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL16504486 1.00 MAPT (0.39) MAPTNPSR1PTGS2HCAR3HTT
SCHEMBL29404113 0.90 MAPT (0.41) MAPTNPSR1PTGS2HCAR3HTT
SCHEMBL14692478 0.77 CASP6 (0.57) HCAR3TSHR
SCHEMBL29404544 0.76 MAPT (0.46) MAPTHCAR3HTTATMKMT2A
SCHEMBL11765920 0.75 TSHR (0.57) MAPTNPSR1PTGS2HCAR3KMT2A
SCHEMBL11765935 0.75 TSHR (0.57) MAPTNPSR1PTGS2HCAR3KMT2A
SCHEMBL14691580 0.74 KMT2A (0.49) MAPTHTTATMKMT2AALDH1A1
SCHEMBL14691578 0.74 KMT2A (0.49) MAPTHTTATMKMT2AALDH1A1
SCHEMBL30706306 0.74 LMNA (0.55) MAPTNPSR1PTGS2HCAR3HTT
SCHEMBL585127 0.74 ALDH1A1 (0.49) MAPTNPSR1PTGS2HCAR3HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108981-B2 Cyclic P1 linkers as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-18 US disclosed
US-20150057262-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2015-02-26 US 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-20150057262-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS F11, F12, F13A1 MAPT 673/4885NPSR1 1265/4885PTGS2 1745/4885

“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.