SCHEMBL1907409

SCHEMBL1907409

CC(=O)N1c2ccc(-c3ccc(CC(Cc4ccccc4)NC(=O)O)cc3)cc2[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.57
BRD2 P25440 18/20 0.54
BRD3 Q15059 12/20 0.54
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC8 Q9BY41 1/20 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
SCHEMBL17627190 0.85 BRD4 (0.64) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL12095240 0.83 BRD4 (0.58) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL1907412 0.83 BRD4 (0.53) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL12095238 0.82 BRD4 (0.59) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL1904035 0.82 BRD4 (0.60) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL13723136 0.82 BRD4 (0.66) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL1907411 0.81 BRD4 (0.52) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL15450325 0.81 BRD2 (0.58) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL11980299 0.80 BRD2 (0.71) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL11908568 0.80 BRD4 (0.56) BRD4BRD2BRD3HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580957-B2 Thetrahydroquinolines derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-12 US disclosed
US-20120208814-A1 Thetrahydroquinolines Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011054848-A1 THETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO 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-20120208814-A1 Thetrahydroquinolines Derivatives As Bromodomain Inhibitors BRD4, BRDT, BRPF3 BRD4 1/4885BRD2 5/4885BRD3 4/4885

“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.