SCHEMBL3032065

SCHEMBL3032065

CCOC(=O)C(CC(=O)c1ccc(Br)cc1)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
GSK3B P49841 2/20 0.47
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL4226890 0.92 KMT2A (0.53) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL7734040 0.88 KMT2A (0.49) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL21565611 0.85 GSK3B (0.59) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL1156727 0.85 KMT2A (0.49) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL2884408 0.85 L3MBTL1 (0.50) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL1156528 0.84 KMT2A (0.69) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL6284563 0.84 HDAC3 (0.54) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL29114074 0.83 KMT2A (0.58) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL12265856 0.81 KMT2A (0.51) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL16044467 0.80 MAPT (0.57) KMT2AMEN1NPC1MAPTALDH1A1

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
EP-2970193-B1 PYRROLE AMIDE INHIBITORS ABBVIE INC (US) 2018-07-25 EP disclosed
US-9493411-B2 Pyrrole-3-carboxamide bromodomain inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
EP-2970193-A1 PYRROLE AMIDE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
CN-105164113-A Pyrroloamide inhibitors ABBVIE INC 2015-12-16 CN disclosed
WO-2014165127-A1 PYRROLE AMIDE INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140275079-A1 PYRROLE AMIDE INHIBITORS ABBVIE INC. 2014-09-18 US disclosed
US-8609713-B2 Pyrrole derivatives and their methods of use ABBVIE INC. (US) 2013-12-17 US disclosed
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-7741364-B2 Neuronal nicotinic acetylcholine receptor modulators; such as ethyl 1-[4-(aminosulfonyl)phenyl]-5-(4-bromophenyl)-2-methyl-1H-pyrrole-3-carboxylate ABBOTT LABORATORIES (US) 2010-06-22 US disclosed
CN-101479241-A Pyrrole derivatives and their methods of use ABBOTT LAB (US) 2009-07-08 CN disclosed
EP-2041085-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-04-01 EP disclosed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US disclosed
WO-2008002974-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 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 (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-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE PYCR1, PPOX, DHPS KMT2A 2578/4885MEN1 2853/4885NPC1 3463/4885
US-20140275079-A1 PYRROLE AMIDE INHIBITORS HDAC10, ARG1, CDK20 KMT2A 2286/4885MEN1 2506/4885NPC1 2843/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS KMT2A 2578/4885MEN1 2853/4885NPC1 3463/4885

“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.