SCHEMBL6807430

SCHEMBL6807430

CNCCSc1nnc(C(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2)o1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 6/20 0.43
ALDH1A1 P00352 2/20 0.42
CASP1 P29466 5/20 0.42
CASP7 P55210 5/20 0.42
CASP6 P55212 5/20 0.42
CASP8 Q14790 5/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38

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
Hydrochloric Acid SCHEMBL6809085 0.99 CASP3 (0.43) CASP3ALDH1A1CASP1CASP7CASP6
SCHEMBL6808837 0.88 CTSS (0.46) CASP3ALDH1A1CASP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL6805507 0.87 CTSS (0.45) CASP3ALDH1A1CASP1MAPK1L3MBTL1
SCHEMBL6812947 0.84 CTSL (0.43) ALDH1A1L3MBTL1POLB
Hydrochloric Acid SCHEMBL6813149 0.83 CTSL (0.43) ALDH1A1L3MBTL1POLB
SCHEMBL6809092 0.80 ALDH1A1 (0.38) ALDH1A1L3MBTL1TP53
Hydrochloric Acid SCHEMBL6808628 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL6807390 0.78 TSHR (0.37) ALDH1A1MAPK1L3MBTL1SMN1; SMN2TP53
SCHEMBL6808494 0.78 CTSL (0.43) ALDH1A1MAPK1L3MBTL1TP53
Hydrochloric Acid SCHEMBL6812867 0.77 TSHR (0.36) ALDH1A1MAPK1L3MBTL1SMN1; SMN2TP53

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-20040204368-A1 Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 US claimed

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-20040204368-A1 Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient ACIN1, CASP3, CASP7 CASP3 2/4885ALDH1A1 1531/4885CASP1 4/4885

“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.