SCHEMBL12938696

SCHEMBL12938696

CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
CASP3 P42574 2/20 0.51
MDM4 O15151 2/20 0.51
TP53 P04637 2/20 0.51
EPHX2 P34913 1/20 0.48
TLR2 O60603 1/20 0.46

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
SCHEMBL21848145 1.00 KMT2A (0.51) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL31675022 0.88 MDM4 (0.60) KMT2ACASP3MDM4TP53TLR2
SCHEMBL29401430 0.88 MDM4 (0.60) KMT2ACASP3MDM4TP53TLR2
SCHEMBL30353997 0.88 MDM4 (0.60) KMT2ACASP3MDM4TP53TLR2
SCHEMBL16000763 0.88 KMT2A (0.52) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL12677657 0.88 KMT2A (0.52) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL178787 0.88 MDM4 (0.60) KMT2ACASP3MDM4TP53TLR2
SCHEMBL118051 0.88 MDM4 (0.60) KMT2ACASP3MDM4TP53TLR2
SCHEMBL10187006 0.88 KMT2A (0.52) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL29792126 0.88 MDM4 (0.60) KMT2ACASP3MDM4TP53TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145021-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC 2017-05-25 US disclosed
US-9598420-B2 Benzodiazepine bromodomain inhibitor GLAXOSMITHKLINE LLC (US) 2017-03-21 US disclosed
US-20150299210-A1 Benzodiazepine Bromodomain Inhibitor GLAXOSMITHKLINE LLC 2015-10-22 US disclosed
US-9102677-B2 Benzodiazepine bromodomain inhibitor GLAXOSMITHKLINE LLC (US) 2015-08-11 US disclosed
US-20120252781-A1 Benzodiazepine Bromodomain Inhibitor GLAXOSMITHKLINE LLC 2012-10-04 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 (3 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-20150299210-A1 Benzodiazepine Bromodomain Inhibitor GABRB1, GABRB3, GABRB2 KMT2A 485/4885CASP3 2415/4885MDM4 4736/4885
US-20170145021-A1 NOVEL COMPOUNDS GABRE, GABRA1, GABRA6 KMT2A 2099/4885CASP3 2290/4885MDM4 4850/4885
US-20120252781-A1 Benzodiazepine Bromodomain Inhibitor GABRB1, GABRB3, GABRB2 KMT2A 485/4885CASP3 2415/4885MDM4 4736/4885

“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.