SCHEMBL5158191

SCHEMBL5158191

CN(C)c1ccc(CNC(=O)[C@H](N)Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.55
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 2/20 0.52
EGFR P00533 2/20 0.49
SRC P12931 1/20 0.49
MME P08473 1/20 0.49
MMP8 P22894 1/20 0.49
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
EPHX2 P34913 1/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5158199 1.00 F7 (0.55) F7ALDH1A1KMT2AEGFRSRC
SCHEMBL3114367 0.87 ALPI (0.61) ALDH1A1KMT2AEGFRSRCMME
SCHEMBL7413310 0.87 ALPI (0.61) ALDH1A1KMT2AEGFRSRCMME
Hydrochloric Acid SCHEMBL3385081 0.85 MMP8 (0.59) ALDH1A1KMT2AEGFRSRCMME
Hydrochloric Acid SCHEMBL27492563 0.85 MMP8 (0.59) ALDH1A1KMT2AEGFRSRCMME
SCHEMBL21781783 0.83 MMP8 (0.54) ALDH1A1EGFRSRCMMEMMP8
SCHEMBL21137540 0.83 MMP8 (0.54) ALDH1A1EGFRSRCMMEMMP8
SCHEMBL5162582 0.82 BACE1 (0.56) F7ALDH1A1KMT2AMEN1ALPI
SCHEMBL5162575 0.82 BACE1 (0.56) F7ALDH1A1KMT2AMEN1ALPI
SCHEMBL8817411 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AEGFRSRCMMP8

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
CN-1964955-A Small molecules for treatment of hypercholesterolemia and related diseases AVANIR PHARMACEUTICALS (US) 2007-05-16 CN disclosed
EP-1753733-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES Avanir Pharmaceuticals (US) 2007-02-21 EP disclosed
WO-2005123700-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed
US-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases AVANIR PHARMACEUTICALS 2005-12-15 US 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-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases LDLR, NPC1L1, CETP F7 4389/4885ALDH1A1 4484/4885KMT2A 3935/4885

“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.