SCHEMBL20272154

SCHEMBL20272154

CCC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)ccc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.66
KMT2A Q03164 11/20 0.66
POLB P06746 10/20 0.66
MAPT P10636 10/20 0.66
MCL1 Q07820 8/20 0.66
ALDH1A1 P00352 8/20 0.66
KDM4E B2RXH2 7/20 0.66
L3MBTL1 Q9Y468 7/20 0.66
TDP1 Q9NUW8 6/20 0.66
BLM P54132 6/20 0.66
APEX1 P27695 4/20 0.66
GAA P10253 3/20 0.66
USP2 O75604 2/20 0.66
PTGES O14684 1/20 0.66
PKM P14618 6/20 0.65
HPGD P15428 5/20 0.58
ALOX12 P18054 3/20 0.58
NR4A1 P22736 3/20 0.58
ESR2 Q92731 2/20 0.58
ESR1 P03372 1/20 0.58

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
SCHEMBL14680362 0.92 MEN1 (0.60) MEN1KMT2APOLBMAPTMCL1
SCHEMBL14680144 0.89 MEN1 (0.56) MEN1KMT2APOLBMAPTMCL1
SCHEMBL26294556 0.83 MEN1 (0.73) MEN1KMT2APOLBMAPTMCL1
SCHEMBL24277568 0.81 MEN1 (0.73) MEN1KMT2APOLBMAPTMCL1
SCHEMBL26296124 0.80 MEN1 (1.00) MEN1KMT2APOLBMAPTMCL1
SCHEMBL26294993 0.79 MEN1 (0.73) MEN1KMT2APOLBMAPTMCL1
SCHEMBL26761824 0.78 MEN1 (0.68) MEN1KMT2APOLBMAPTMCL1
SCHEMBL24277698 0.78 MCL1 (0.62) MEN1KMT2APOLBMAPTMCL1
SCHEMBL26293182 0.77 MEN1 (0.82) MEN1KMT2APOLBMAPTMCL1
SCHEMBL24277912 0.77 MEN1 (0.74) MEN1KMT2APOLBMAPTMCL1

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-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 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-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 MEN1 3272/4885KMT2A 2775/4885POLB 1363/4885

“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.