SCHEMBL5863476

SCHEMBL5863476

CC(C)(C)OC(=O)C1CNCCN1c1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.39
ALDH1A1 P00352 6/20 0.39
SIRT6 Q8N6T7 3/20 0.39
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
GFER P55789 1/20 0.36
DTYMK P23919 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP3 P42574 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4429861 0.83 RAD52 (0.36) CASP3
SCHEMBL5674603 0.82 MAPT (0.50) MAPTALDH1A1SIRT6KDM4ELMNA
SCHEMBL5863858 0.82 SIRT6 (0.37) MAPTALDH1A1SIRT6KDM4ETP53
SCHEMBL16026451 0.80 GFER (0.47) MAPTALDH1A1KDM4ETP53GFER
SCHEMBL27561229 0.77 SLC6A2 (0.44) ALDH1A1RECQLMAPK1
SCHEMBL2297610 0.75 SMN1; SMN2 (0.53) MAPTALDH1A1POLBLMNAMAPK1
SCHEMBL8143132 0.74 MAPT (0.41) MAPTALDH1A1POLBLMNAMAPK1
SCHEMBL8143134 0.74 MAPT (0.41) MAPTALDH1A1POLBLMNAMAPK1
SCHEMBL7519138 0.73 ALDH1A1 (0.34) ALDH1A1KDM4ESMN1; SMN2CASP3
SCHEMBL9983692 0.73 MAPT (0.44) MAPTALDH1A1POLBLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC MAPT 4733/4885ALDH1A1 1345/4885SIRT6 2015/4885

“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.