SCHEMBL5864036

SCHEMBL5864036

Cc1cc(Br)ccc1NC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.53
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
CYP2C19 P33261 1/20 0.43
PTPN11 Q06124 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NAMPT P43490 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPK8 P45983 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RCE1 Q9Y256 1/20 0.41

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
SCHEMBL5863855 0.88 MAPT (0.51) BACE1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4833080 0.85 MAPT (0.48) BACE1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL29803554 0.84 SMN1; SMN2 (0.53) BACE1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL24670882 0.84 SMN1; SMN2 (0.53) BACE1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL29803595 0.83 MAPT (0.54) BACE1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL24670693 0.83 MAPT (0.54) BACE1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL29803690 0.80 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL214913 0.80 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL24670765 0.79 KMT2A (0.60) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5787018 0.79 MAPK11 (0.49) MAPTALDH1A1LMNASMN1; SMN2MEN1

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 BACE1 1751/4885MAPT 4733/4885ALDH1A1 1345/4885

“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.