SCHEMBL17830753

SCHEMBL17830753

O=C(CN1C(=O)C(=O)c2cc(Cl)ccc21)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
CASP3 P42574 2/20 0.49
CASP7 P55210 2/20 0.49
CASP1 P29466 1/20 0.49
CASP4 P49662 1/20 0.49
CASP9 P55211 1/20 0.49
CASP6 P55212 1/20 0.49
CASP8 Q14790 1/20 0.49
ALDH1A1 P00352 5/20 0.47
ALDH3A1 P30838 6/20 0.46
ALDH2 P05091 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL17830744 0.89 ALDH1A1 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL17830754 0.89 CASP1 (0.52) CA12CA1CA2CA9CASP3
SCHEMBL17830742 0.85 ALDH1A1 (0.63) ALDH1A1ALDH3A1ALDH2MEN1KMT2A
SCHEMBL17830746 0.85 ALDH1A1 (0.51) CA12CA1CA2CA9CASP3
SCHEMBL17830710 0.85 ALDH1A1 (0.64) ALDH1A1ALDH3A1ALDH2KMT2AMAPT
SCHEMBL17830740 0.83 ALDH1A1 (0.52) CA12CA1CA2CA9CASP3
SCHEMBL17830751 0.83 ALDH1A1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL17830748 0.82 CHRM5 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL17830745 0.81 ALDH1A1 (0.56) ALDH1A1ALDH3A1ALDH2KMT2AMAPT
SCHEMBL17830755 0.79 ALDH1A1 (0.49) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 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-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS BCL6, BCL6B, BAZ2A CA12 3290/4885CA1 4144/4885CA2 4432/4885

“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.