SCHEMBL5945490

SCHEMBL5945490

NCCOc1ccc(CC(=O)NCCCc2ccc(Cl)cc2)cc1N

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 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
SCHEMBL5146659 0.90 PDK2 (0.55) PDK2L3MBTL1ALDH1A1LMNACA12
SCHEMBL5143575 0.90 GAA (0.56) L3MBTL1ALDH1A1LMNACA1CA2
SCHEMBL5945537 0.89 PYGL (0.48) PDK2L3MBTL1CA1CA2
SCHEMBL5145058 0.89 RAB9A (0.47) L3MBTL1LMNACA12CA1CA2
SCHEMBL5145348 0.89 HPGD (0.47) PDK2L3MBTL1ALDH1A1LMNAGAA
SCHEMBL5144885 0.89 PDK2 (0.44) PDK2L3MBTL1ALDH1A1LMNACA12
SCHEMBL5145141 0.89 CA2 (0.46) PDK2L3MBTL1ALDH1A1LMNACA12
SCHEMBL5145305 0.87 L3MBTL1 (0.55) L3MBTL1LMNACA1CA2
SCHEMBL5945467 0.87 TRPV1 (0.56) L3MBTL1ALDH1A1LMNACA1CA2
SCHEMBL5945450 0.86 L3MBTL1 (0.43) PDK2L3MBTL1GAAHPGD

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-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof STIEFEL LABORATORIES, INC. 2006-03-02 US disclosed
EP-0525360-B1 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1998-03-25 EP disclosed
US-5242944-A Analgesics or antiinflammatory agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-09-07 US disclosed
EP-0525360-A2 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-02-03 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-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof HPD, HNMT, PRPH PDK2 218/4885L3MBTL1 4874/4885ALDH1A1 1137/4885

“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.