SCHEMBL5863855

SCHEMBL5863855

Cc1cc(Br)ccc1NC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
BACE1 P56817 6/20 0.50
SIRT6 Q8N6T7 4/20 0.48
TP53 P04637 1/20 0.44
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
POLB P06746 1/20 0.43
DCTPP1 Q9H773 1/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5864036 0.88 BACE1 (0.53) MAPTALDH1A1LMNABACE1TP53
SCHEMBL4831726 0.85 MAPT (0.59) MAPTALDH1A1LMNASIRT6POLB
SCHEMBL29803554 0.81 SMN1; SMN2 (0.53) MAPTALDH1A1LMNABACE1TP53
SCHEMBL24670882 0.81 SMN1; SMN2 (0.53) MAPTALDH1A1LMNABACE1TP53
SCHEMBL5784605 0.80 MAPT (0.46) MAPTALDH1A1LMNASIRT6TP53
SCHEMBL29803595 0.80 MAPT (0.54) MAPTALDH1A1LMNABACE1TP53
SCHEMBL24670693 0.80 MAPT (0.54) MAPTALDH1A1LMNABACE1TP53
SCHEMBL15863535 0.80 ALDH1A1 (0.67) MAPTALDH1A1LMNASIRT6BCL2
SCHEMBL21683051 0.79 SIRT6 (0.70) MAPTALDH1A1LMNASIRT6BCL2
SCHEMBL5863471 0.79 MAPT (0.65) MAPTALDH1A1LMNASIRT6BCL2

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 1345/4885LMNA 508/4885

“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.