SCHEMBL1908120

SCHEMBL1908120

CC(=O)N1c2ccc(Br)cc2[C@@H](Nc2ccccc2)C[C@H]1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.76
BRD2 P25440 15/20 0.76
BRD3 Q15059 15/20 0.76
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2D6 P10635 1/20 0.61
TRIM24 O15164 1/20 0.58
TAF1 P21675 1/20 0.58
EP300 Q09472 1/20 0.58
BRDT Q58F21 1/20 0.58
PBRM1 Q86U86 1/20 0.58
TAF1L Q8IZX4 1/20 0.58
CREBBP Q92793 1/20 0.58
BRWD1 Q9NSI6 1/20 0.58
TRIM33 Q9UPN9 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
SCHEMBL1908119 1.00 BRD4 (0.76) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL221738 1.00 BRD4 (0.76) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL5836498 0.93 BRD4 (0.65) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL5836500 0.93 BRD4 (0.65) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL5836377 0.92 BRD4 (0.66) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL5836380 0.92 BRD4 (0.66) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL224077 0.91 BRD4 (0.65) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL224078 0.91 BRD4 (0.65) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL220729 0.91 BRD4 (0.65) BRD4BRD2BRD3HDAC1HDAC7
SCHEMBL12677226 0.89 BRD4 (0.61) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496558-B1 TETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-03-30 EP disclosed
EP-2496558-B1 TETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-03-30 EP disclosed
US-8580957-B2 Thetrahydroquinolines derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-12 US disclosed
US-8580957-B2 Thetrahydroquinolines derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-12 US disclosed
US-8580957-B2 Thetrahydroquinolines derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-12 US disclosed
EP-2496558-A1 THETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
US-20120208814-A1 Thetrahydroquinolines Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208814-A1 Thetrahydroquinolines Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-08-16 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
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.