SCHEMBL5349622

SCHEMBL5349622

CN(C)c1ccc(CNC(=O)[C@](CSCC2CCCCC2)(N=C=O)C2CCCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.36
HDAC2 Q92769 6/20 0.36
HDAC3 O15379 5/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC10 Q969S8 5/20 0.34

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
SCHEMBL5356355 0.76 GAA (0.35) HDAC1HDAC2HDAC3GAAKDM4E
SCHEMBL5349615 0.68 CACNA1B (0.48) GAAPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL5356337 0.67 CACNA1B (0.46) POLBCYP3A4
SCHEMBL5356343 0.65 CTSD (0.37) HDAC1HDAC2HDAC3GAAKDM4E
SCHEMBL5349008 0.64 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2EPHX2
SCHEMBL5356190 0.64 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2EPHX2
SCHEMBL5352506 0.64 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2EPHX2
SCHEMBL5349620 0.63 RAB9A (0.36) HDAC1HDAC2HDAC3GAAKDM4E
SCHEMBL5757246 0.63 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1SMN1; SMN2EPHX2
SCHEMBL5343462 0.63 CACNA1B (0.40) HDAC1HDAC2HDAC3GAAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A HDAC1 950/4885HDAC2 1459/4885HDAC3 1103/4885

“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.