SCHEMBL5129334

SCHEMBL5129334

C[C@@H](O)[C@H](NCc1ccc(-c2cncc(C(=O)O)c2)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 5/20 0.49
XDH P47989 4/20 0.48
HDAC1 Q13547 4/20 0.47
KDM1A O60341 3/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
SCN2A Q99250 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
CASP3 P42574 1/20 0.40

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
SCHEMBL2258599 0.86 MEP1B (0.54) MEP1BHDAC1
SCHEMBL2260358 0.86 HDAC1 (0.43) MEP1BXDHHDAC1KDM1ASCN2A
SCHEMBL404158 0.82 XDH (0.62) XDHHDAC1KDM1AMKNK1MKNK2
SCHEMBL5130164 0.82 MEP1B (0.58) MEP1B
SCHEMBL404304 0.81 ALDH1A1 (0.52) MEP1BHDAC1
SCHEMBL399832 0.81 ALDH1A1 (0.52) MEP1BHDAC1
SCHEMBL399676 0.81 ALDH1A1 (0.52) MEP1BHDAC1
SCHEMBL12064314 0.81 ALDH1A1 (0.52) MEP1BHDAC1
SCHEMBL2876648 0.78 MEP1B (0.48) MEP1BHDAC1
SCHEMBL402593 0.77 BACE1 (0.47) MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MEP1B 1047/4885XDH 395/4885HDAC1 824/4885

“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.