SCHEMBL5628031

SCHEMBL5628031

COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.50
PAX8 Q06710 2/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 3/20 0.48
MAPT P10636 1/20 0.47
MITF O75030 1/20 0.47
HSP90AA1 P07900 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47

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
SCHEMBL2940761 0.92 HTT (0.55) ALDH1A1LMNAHTTPAX8MAPK1
SCHEMBL425317 0.83 ALDH1A1 (0.71) ALDH1A1LMNAHTTPAX8MAPK1
SCHEMBL5625835 0.82 GAA (0.44) ALDH1A1NPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL1481655 0.81 KMT2A (0.59) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL2941971 0.81 ALDH1A1 (0.49) ALDH1A1LMNAHTTNPC1KMT2A
SCHEMBL29937859 0.81 ALDH1A1 (0.49) ALDH1A1LMNAHTTNPC1KMT2A
SCHEMBL5624371 0.79 SIRT6 (0.58) ALDH1A1LMNAKMT2AMAPT
SCHEMBL29937396 0.78 MAPT (0.51) ALDH1A1LMNAHTTMAPK1NPC1
SCHEMBL77799 0.78 ALDH1A1 (0.54) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL4458565 0.78 MAPT (0.51) ALDH1A1LMNAHTTMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-02 US disclosed
EP-1723164-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-22 EP disclosed
WO-2005095440-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-10-13 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-20070179122-A1 Beta-Aminoacid-Derivatives As Factor Xa Inhibitors F12, F11, F5 ALDH1A1 2861/4885LMNA 181/4885HTT 2903/4885

“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.