SCHEMBL7242054

SCHEMBL7242054

CC(C)NC(=O)Nc1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 12/20 0.66
▸ RAB9A P51151 5/20 0.66
▸ NPC1 O15118 4/20 0.66
▸ CDC25A P30304 1/20 0.65
▸ CDC25B P30305 1/20 0.65
▸ MAPT P10636 12/20 0.64
▸ ALDH1A1 P00352 11/20 0.64
▸ HTT P42858 6/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ POLB P06746 5/20 0.64
▸ LMNA P02545 4/20 0.64
▸ MITF O75030 2/20 0.64
▸ KLF5 Q13887 1/20 0.64
▸ L3MBTL1 Q9Y468 6/20 0.56
▸ MEN1 O00255 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ GAA P10253 5/20 0.56
▸ NPSR1 Q6W5P4 4/20 0.56
▸ NSD2 O96028 2/20 0.56
▸ CASP3 P42574 1/20 0.56

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
SCHEMBL7246266 0.84 CDC25A (0.73) APAF1RAB9ANPC1CDC25ACDC25B
SCHEMBL7240441 0.84 MAPT (0.69) APAF1RAB9ANPC1CDC25ACDC25B
SCHEMBL7242011 0.84 CDC25A (0.65) APAF1RAB9ANPC1CDC25ACDC25B
SCHEMBL7247286 0.82 CDC25A (0.62) APAF1RAB9ANPC1CDC25ACDC25B
SCHEMBL2467093 0.81 APAF1 (0.80) APAF1RAB9ANPC1CDC25ACDC25B
SCHEMBL7241889 0.81 CDC25A (0.65) APAF1RAB9ANPC1CDC25ACDC25B
SCHEMBL4874221 0.81 APAF1 (0.97) APAF1RAB9ANPC1CDC25ACDC25B
SCHEMBL4872810 0.81 MAPT (0.76) APAF1RAB9ANPC1CDC25ACDC25B
SCHEMBL7247303 0.80 MAPT (0.97) APAF1RAB9ANPC1CDC25ACDC25B
SCHEMBL5807881 0.80 APAF1 (1.00) APAF1RAB9ANPC1CDC25ACDC25B

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-20030232801-A1 Identification of compounds for the treatment or prevention of proliferative diseases STURGESS MICHAEL ALAN (US) 2003-12-18 — — 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-20030232801-A1 Identification of compounds for the treatment or prevention of proliferative diseases PCNA, TP53, MKI67 APAF1 1727/4885RAB9A 4714/4885NPC1 1051/4885

“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.

Send feedback