SCHEMBL1866848

SCHEMBL1866848

C[C@H]1C[C@@H](NC=O)c2cc(Br)ccc2N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PLA2G1B P04054 1/20 0.34
GAPDH P04406 1/20 0.34
HSPA1A P0DMV8 1/20 0.34
MIF P14174 1/20 0.34
PTPN7 P35236 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NQO2 P16083 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 2/20 0.32
ADRA2A P08913 1/20 0.31

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
SCHEMBL11978795 1.00 POLB (0.34) POLBMEN1KMT2APLA2G1BGAPDH
SCHEMBL1822911 1.00 POLB (0.34) POLBMEN1KMT2APLA2G1BGAPDH
SCHEMBL1872349 0.84 ADRA2A (0.37) POLBMEN1KMT2APLA2G1BGAPDH
SCHEMBL11978796 0.84 ADRA2A (0.37) POLBMEN1KMT2APLA2G1BGAPDH
SCHEMBL1907055 0.84 ADRA2A (0.37) POLBMEN1KMT2APLA2G1BGAPDH
SCHEMBL14756170 0.83
SCHEMBL29520812 0.83 CHRNB2 (0.36) CA1CA2HTR2AHTR2CHTR2B
SCHEMBL11978826 0.82 HSD17B2 (0.41) POLBMEN1KMT2APLA2G1BGAPDH
SCHEMBL11908226 0.82 HSD17B2 (0.41) POLBMEN1KMT2APLA2G1BGAPDH
SCHEMBL4134739 0.80 BRD4 (0.36) POLBMEN1KMT2APLA2G1BGAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2015-06-04 WO disclosed
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-8697725-B2 Tetrahydroquinoline derivatives and their pharmaceutical use GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
EP-2496557-B1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXOSMITHKLINE LLC (US) 2013-12-18 EP disclosed
EP-2496557-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
US-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011054841-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE 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 (4 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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 POLB 1099/4885MEN1 3820/4885KMT2A 408/4885
US-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use ABCB1, CYP3A7, UGT2B7 POLB 1987/4885MEN1 1250/4885KMT2A 1698/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 POLB 1252/4885MEN1 836/4885KMT2A 2014/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 POLB 2195/4885MEN1 257/4885KMT2A 1283/4885

“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.