SCHEMBL328566

SCHEMBL328566

O=C(O)c1ccccc1C(=O)Nc1ccccc1N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
CYP1A2 P05177 3/20 0.70
KMT2A Q03164 3/20 0.70
MEN1 O00255 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.68
POLB P06746 2/20 0.67
PKM P14618 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
SCN9A Q15858 1/20 0.64
USP2 O75604 1/20 0.63
CYP3A4 P08684 2/20 0.62
CYP2C19 P33261 2/20 0.62
TSHR P16473 3/20 0.62
EPHX2 P34913 1/20 0.62
HPGD P15428 1/20 0.62
MAPK10 P53779 1/20 0.62
HTT P42858 1/20 0.61
MAPT P10636 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
NPC1 O15118 2/20 0.60

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
SCHEMBL4326786 0.84 ALDH1A1 (0.70) ALDH1A1CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL20910885 0.82 ALDH1A1 (0.68) ALDH1A1CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL226006 0.82 ALDH1A1 (0.57) ALDH1A1CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL29816440 0.82 ALDH1A1 (0.57) ALDH1A1CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL12700228 0.81 MEN1 (0.64) ALDH1A1CYP1A2KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL6208562 0.81 ALDH1A1 (0.56) ALDH1A1CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL4585579 0.80 ALDH1A1 (0.59) ALDH1A1CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL9555514 0.80 POLB (0.69) ALDH1A1CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL28412381 0.80 ALDH1A1 (0.58) ALDH1A1CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL20911012 0.79 ALDH1A1 (0.64) ALDH1A1CYP1A2KMT2AMEN1SMN1; SMN2

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-2428504-B1 Small molecule inhibitors of the pleckstrin homology domain and method for using same UNIV TEXAS (US) 2017-05-17 EP disclosed
US-9320734-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-04-26 US disclosed
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-05-07 US disclosed
US-8962663-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-02-24 US disclosed
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2013-07-18 US disclosed
US-8420678-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-04-16 US disclosed
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PHUSIS THERAPEUTICS INC. 2012-07-26 US disclosed
EP-2428504-A1 Small molecule inhibitors of the pleckstrin homology domain and method for using same The Board of Regents of the University of Texas System (US) 2012-03-14 EP disclosed
US-20110144066-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-06-16 US disclosed
WO-2011032169-A2 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PHUSIS THERAPEUTICS INC. (US) 2011-03-17 WO disclosed
WO-2009129267-A2 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 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-20110144066-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALDH1A1 4424/4885CYP1A2 4883/4885KMT2A 3162/4885
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALDH1A1 4424/4885CYP1A2 4883/4885KMT2A 3162/4885
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALDH1A1 4424/4885CYP1A2 4883/4885KMT2A 3162/4885
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEC, PLEKHA1 ALDH1A1 4500/4885CYP1A2 4882/4885KMT2A 4375/4885

“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.