SCHEMBL411036

SCHEMBL411036

COc1cccc(NCC(O)Cn2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.55
DNM1 Q05193 5/20 0.49
MEN1 O00255 4/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MCHR1 Q99705 1/20 0.41
PER2 O15055 3/20 0.40
CRY1 Q16526 3/20 0.40
CRY2 Q49AN0 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
MITF O75030 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CBX7 O95931 1/20 0.39
CDYL2 Q8N8U2 1/20 0.39

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
SCHEMBL408442 0.90 TSPO (0.55) TSPODNM1MEN1MAPTKMT2A
SCHEMBL28228400 0.88 TSPO (0.62) TSPODNM1MEN1MAPTKMT2A
SCHEMBL409553 0.85 TSPO (0.59) TSPODNM1MEN1MAPTKMT2A
SCHEMBL410288 0.84 TSPO (0.52) TSPODNM1MEN1MAPTKMT2A
SCHEMBL406252 0.84 TSPO (0.77) TSPODNM1MEN1MAPTKMT2A
SCHEMBL407411 0.84 TSPO (0.58) TSPODNM1MEN1MAPTKMT2A
SCHEMBL407526 0.84 TSPO (0.77) TSPODNM1MEN1MAPTKMT2A
SCHEMBL410621 0.84 TSPO (0.77) TSPODNM1MEN1MAPTKMT2A
SCHEMBL20125728 0.84 TSPO (0.49) TSPODNM1MEN1MAPTKMT2A
SCHEMBL12960306 0.83 DNM1 (0.68) TSPODNM1MEN1MAPTKMT2A

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 122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180318255-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-11-08 US claimed
EP-2590647-B1 PRO-NEUROGENIC COMPOUNDS UNIV TEXAS (US) 2017-11-08 EP claimed
US-20170157092-A1 Anti-depression Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-06-08 US claimed
US-9616048-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-11 US claimed
US-20160362372-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-12-15 US claimed
US-20160206596-A1 Anti-depression Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-07-21 US claimed
US-9162980-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-10-20 US claimed
US-20150290195-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-10-15 US claimed
EP-2925129-A1 PRO-NEUROGENIC COMPOUNDS Board of Regents of the University of Texas System (US) 2015-10-07 EP claimed
US-20140343018-A1 Anti-depression Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2014-11-20 US claimed
US-20130190339-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-07-25 US claimed
US-20130184301-A1 Methods of Treating Post-Traumatic Stress Disorder Using Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-07-18 US claimed
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 claimed
US-20130184300-A1 Methods of Treating Traumatic Brain Injury Using Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-07-18 US claimed
EP-2590647-A2 PRO-NEUROGENIC COMPOUNDS Board of Regents of the University of Texas System (US) 2013-05-15 EP claimed
US-20130040977-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2013-02-14 US claimed
US-8362277-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-29 US claimed
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-26 US claimed
WO-2012006419-A2 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 WO claimed
US-20110003836-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 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-20130184301-A1 Methods of Treating Post-Traumatic Stress Disorder Using Pro-Neurogenic Compounds BDNF, GAP43, DCX TSPO 478/4885DNM1 1086/4885MEN1 4266/4885
US-20130184271-A1 Methods for Treating Parkinson's Disease Using Pro-Neurogenic Compounds BDNF, GAP43, NES TSPO 2397/4885DNM1 677/4885MEN1 3574/4885
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BDNF, GAP43, DCX TSPO 2470/4885DNM1 897/4885MEN1 3423/4885
US-20180318255-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX TSPO 2470/4885DNM1 897/4885MEN1 3423/4885
US-20150290195-A1 PRO-NEUROGENIC COMPOUNDS DCX, GAP43, BDNF TSPO 826/4885DNM1 510/4885MEN1 3192/4885
US-20130190339-A1 Pro-Neurogenic Compounds DCX, GAP43, BDNF TSPO 826/4885DNM1 510/4885MEN1 3192/4885
US-20140343018-A1 Anti-depression Compounds BDNF, DCX, GAP43 TSPO 2600/4885DNM1 638/4885MEN1 4295/4885
US-20130040977-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX TSPO 2470/4885DNM1 897/4885MEN1 3423/4885
US-20110003836-A1 Pro-Neurogenic Compounds DCX, GAP43, BDNF TSPO 794/4885DNM1 538/4885MEN1 3234/4885
US-20130184300-A1 Methods of Treating Traumatic Brain Injury Using Pro-Neurogenic Compounds DCX, GAP43, BDNF TSPO 980/4885DNM1 647/4885MEN1 3632/4885
US-20160362372-A1 PRO-NEUROGENIC COMPOUNDS DCX, GAP43, BDNF TSPO 826/4885DNM1 510/4885MEN1 3192/4885
US-20160206596-A1 Anti-depression Compounds BDNF, DCX, GAP43 TSPO 2600/4885DNM1 638/4885MEN1 4295/4885
US-20170157092-A1 Anti-depression Compounds BDNF, DCX, GAP43 TSPO 2600/4885DNM1 638/4885MEN1 4295/4885

“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.