SCHEMBL4905901

SCHEMBL4905901

COC(=O)c1ccc(-c2cncc(-c3ccc(C)cc3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
CHEK1 O14757 2/20 0.56
MAPT P10636 8/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ATM Q13315 2/20 0.50
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALPL P05186 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A3 P47895 1/20 0.48
GAA P10253 2/20 0.48

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
SCHEMBL24994713 0.84 SCN10A (0.51) TDP1CHEK1MAPTATMRAB9A
SCHEMBL29488899 0.83 CHEK1 (0.51) TDP1CHEK1MAPTALDH1A1MEN1
SCHEMBL24369137 0.83 CHEK1 (0.51) TDP1CHEK1MAPTALDH1A1MEN1
SCHEMBL30439099 0.81 CHEK1 (0.50) CHEK1MAPTMEN1KMT2ARAB9A
SCHEMBL25210972 0.81 CHEK1 (0.50) CHEK1MAPTMEN1KMT2ARAB9A
SCHEMBL2275652 0.81 TDP1 (0.87) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL13019491 0.81 TDP1 (0.87) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL16604879 0.81 TDP1 (0.87) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL24369756 0.80 CTPS1 (0.49) CHEK1MAPTALDH1A1MEN1KMT2A
SCHEMBL21033709 0.79 TDP1 (0.59) TDP1MAPTALDH1A1MEN1KMT2A

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-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 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-20080132698-A1 Use of N-oxide compounds in coupling reactions CYP4X1, CYP4F3, CYP1A2 TDP1 4048/4885CHEK1 2901/4885MAPT 4072/4885

“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.