SCHEMBL5864038

SCHEMBL5864038

Cc1cc(Br)ccc1NC(=O)c1cc(N2CCNCC2C(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 4/20 0.36
TP53 P04637 1/20 0.36
AAK1 Q2M2I8 3/20 0.35
THRB P10828 1/20 0.34
BACE1 P56817 5/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RCE1 Q9Y256 1/20 0.34
LMNA P02545 1/20 0.33
DHODH Q02127 2/20 0.33
CISD2 Q8N5K1 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL5863858 0.89 SIRT6 (0.37) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL5864036 0.77 BACE1 (0.53) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL4429861 0.74 RAD52 (0.36)
SCHEMBL8468999 0.72 MEN1 (0.43) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL5864257 0.70 HCAR1 (0.42)
SCHEMBL5863476 0.70 MAPT (0.39) MAPTALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL5674603 0.69 MAPT (0.50) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL5377547 0.69 CHRNB2 (0.39)
SCHEMBL27561229 0.69 SLC6A2 (0.44) ALDH1A1
SCHEMBL4425930 0.68 MEN1 (0.40) MAPTNPC1RAB9ATHRBDHODH

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 4733/4885NPC1 7/4885RAB9A 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.