SCHEMBL5349002

SCHEMBL5349002

COc1ccc(CNC(=O)[C@@H](C(=O)C2CCCC2)C(N)SCC2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CPB2 Q96IY4 1/20 0.47
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 3/20 0.46
CACNA1B Q00975 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41

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
SCHEMBL5352501 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACPB2ALDH1A1
SCHEMBL5356183 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACPB2ALDH1A1
SCHEMBL5351850 0.83 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACPB2ALDH1A1
SCHEMBL5351214 0.82 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACPB2ALDH1A1
SCHEMBL5349839 0.82 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACPB2ALDH1A1
SCHEMBL5356343 0.75 CTSD (0.37) SMN1; SMN2NPC1RAB9ACPB2ALDH1A1
SCHEMBL5352497 0.74 CACNA1B (0.58) SMN1; SMN2NPC1RAB9ACPB2ALDH1A1
SCHEMBL5356175 0.74 CACNA1B (0.58) SMN1; SMN2NPC1RAB9ACPB2ALDH1A1
SCHEMBL5348996 0.74 CACNA1B (0.58) SMN1; SMN2NPC1RAB9ACPB2ALDH1A1
SCHEMBL7355228 0.74 METAP2 (0.68) SMN1; SMN2NPC1RAB9ACPB2ALDH1A1

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 SMN1; SMN2 297/4885NPC1 534/4885RAB9A 2425/4885

“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.