SCHEMBL5863858

SCHEMBL5863858

Cc1cc(Br)ccc1NC(=O)c1cc(N2CCNCC2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 3/20 0.37
MAPT P10636 5/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 2/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33

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
SCHEMBL5864038 0.89 MAPT (0.38) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL5863476 0.82 MAPT (0.39) SIRT6MAPTTP53ALDH1A1LMNA
SCHEMBL5863855 0.78 MAPT (0.51) SIRT6MAPTTP53MEN1KMT2A
SCHEMBL5674603 0.73 MAPT (0.50) SIRT6MAPTALDH1A1LMNAMAPK1
SCHEMBL4429861 0.71 RAD52 (0.36) MEN1KMT2A
SCHEMBL8468999 0.70 MEN1 (0.43) MAPTRAB9ANPC1TP53MEN1
SCHEMBL5864257 0.68 HCAR1 (0.42)
SCHEMBL16026451 0.68 GFER (0.47) MAPTPKMTP53MEN1KMT2A
SCHEMBL2297610 0.67 SMN1; SMN2 (0.53) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL27561229 0.66 SLC6A2 (0.44) ALDH1A1MAPK1

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 SIRT6 2015/4885MAPT 4733/4885RAB9A 3295/4885

“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.