SCHEMBL3030211

SCHEMBL3030211

CCOC(=O)C(CC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
NPC1 O15118 2/20 0.58
L3MBTL1 Q9Y468 5/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 4/20 0.46
PDPK1 O15530 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP19A1 P11511 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL973673 0.92 KMT2A (0.69) KMT2AMEN1NPC1L3MBTL1MAPT
SCHEMBL3022185 0.88 L3MBTL1 (0.45) KMT2AMEN1NPC1L3MBTL1MAPT
SCHEMBL8532867 0.88 KMT2A (0.60) KMT2AMEN1NPC1L3MBTL1MAPT
SCHEMBL28802831 0.87 L3MBTL1 (0.54) KMT2AMEN1NPC1L3MBTL1MAPT
SCHEMBL1437086 0.87 KMT2A (0.56) KMT2AMEN1NPC1MAPTPOLB
SCHEMBL29114074 0.86 KMT2A (0.58) KMT2AMEN1NPC1MAPTHPGD
SCHEMBL11733617 0.86 SMN1; SMN2 (0.47) KMT2AMEN1NPC1L3MBTL1MAPT
SCHEMBL6014923 0.84 KMT2A (0.75) KMT2AMEN1NPC1L3MBTL1MAPT
SCHEMBL3021511 0.84 NPC1 (0.49) KMT2AMEN1NPC1L3MBTL1MAPT
SCHEMBL2884408 0.83 L3MBTL1 (0.50) KMT2AMEN1NPC1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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-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.