SCHEMBL14701125

SCHEMBL14701125

CC(=O)c1cc2c3ccccc3n(CC(O)COc3ccccc3)c2cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 11/20 0.66
MAPT P10636 8/20 0.66
RECQL P46063 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
CYP1A2 P05177 3/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
KDM4E B2RXH2 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HPGD P15428 4/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HSP90AA1 P07900 1/20 0.47
CNR2 P34972 1/20 0.46
USP2 O75604 1/20 0.44

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
SCHEMBL14689232 0.91 LMNA (0.69) LMNAMAPTRECQLL3MBTL1MEN1
SCHEMBL14689242 0.90 LMNA (0.63) LMNAMAPTRECQLL3MBTL1MEN1
SCHEMBL14689385 0.88 CNR2 (0.63) LMNAMAPTRECQLL3MBTL1MEN1
SCHEMBL18925969 0.84 MAPT (0.70) LMNAMAPTRECQLL3MBTL1MEN1
SCHEMBL16709546 0.83 LMNA (0.56) LMNAMAPTRECQLL3MBTL1MEN1
SCHEMBL14689726 0.81 LMNA (0.54) LMNAMAPTRECQLL3MBTL1MEN1
SCHEMBL411822 0.81 LMNA (1.00) LMNAMAPTRECQLL3MBTL1MEN1
SCHEMBL14690146 0.81 LMNA (0.53) LMNAMAPTRECQLL3MBTL1MEN1
SCHEMBL14689339 0.79 CNR2 (0.52) LMNAMAPTRECQLL3MBTL1MEN1
SCHEMBL12311151 0.78 CNR2 (0.56) LMNAMAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
US-9616048-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-11 US disclosed
US-20160206596-A1 Anti-depression Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-07-21 US disclosed
US-9162980-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-10-20 US disclosed
US-20140343018-A1 Anti-depression Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2014-11-20 US disclosed
US-8877797-B2 Methods for treating Parkinson's disease using pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-04 US disclosed
US-8735440-B2 Methods for treating amyotrophic lateral sclerosis using pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-05-27 US disclosed
US-20130190273-A1 Methods for Treating Amyotrophic Lateral Sclerosis Using Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-07-25 US disclosed
US-20130184271-A1 Methods for Treating Parkinson's Disease Using Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-07-18 US disclosed
US-20130040977-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2013-02-14 US 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 (5 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-20130184271-A1 Methods for Treating Parkinson's Disease Using Pro-Neurogenic Compounds BDNF, GAP43, NES LMNA 212/4885MAPT 141/4885RECQL 2782/4885
US-20130190273-A1 Methods for Treating Amyotrophic Lateral Sclerosis Using Pro-Neurogenic Compounds BDNF, GAP43, DCX LMNA 67/4885MAPT 122/4885RECQL 2999/4885
US-20140343018-A1 Anti-depression Compounds BDNF, DCX, GAP43 LMNA 523/4885MAPT 142/4885RECQL 2553/4885
US-20130040977-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX LMNA 174/4885MAPT 136/4885RECQL 2885/4885
US-20160206596-A1 Anti-depression Compounds BDNF, DCX, GAP43 LMNA 523/4885MAPT 142/4885RECQL 2553/4885

“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.