SCHEMBL14689593

SCHEMBL14689593

Brc1ccc2c(c1)c1cc(Br)ccc1n2Cc1nnn[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
DNM1 Q05193 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BAX Q07812 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
P2RX3 P56373 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PIK3R1 P27986 3/20 0.34
PIK3CA P42336 3/20 0.34
TSPO P30536 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL17474430 0.74 PLK1 (0.34) DNM1SIGMAR1
SCHEMBL18249660 0.70 CTNNB1 (0.50) MAPTSMN1; SMN2ALOX15MAPK1
SCHEMBL30938111 0.70 MAPT (0.51) MAPTDNM1SMN1; SMN2TP53PIK3R1
SCHEMBL29245663 0.70 MAPT (0.51) MAPTDNM1SMN1; SMN2TP53PIK3R1
SCHEMBL17482017 0.68 PLK1 (0.31) SIGMAR1
SCHEMBL16156822 0.68 PSEN1 (0.38) MAPTTP53MAPK1HTT
SCHEMBL2244878 0.67 CYP19A1 (0.60) MAPTDNM1SMN1; SMN2TP53MAPK1
SCHEMBL31222301 0.67 CYP19A1 (0.60) MAPTDNM1SMN1; SMN2TP53MAPK1
SCHEMBL871702 0.65 MAPT (0.55) MAPTDNM1SMN1; SMN2SIGMAR1TP53
SCHEMBL29429155 0.65 MAPT (0.55) MAPTDNM1SMN1; SMN2SIGMAR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183011-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-22 US disclosed
US-10183011-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-22 US disclosed
US-20180318255-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-11-08 US disclosed
US-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
US-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
US-20170157092-A1 Anti-depression Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-06-08 US disclosed
US-20170157092-A1 Anti-depression Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-06-08 US disclosed
US-9616048-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-11 US disclosed
US-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-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-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
WO-2014031125-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 WO 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-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-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
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 (7 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 MAPT 141/4885DNM1 677/4885SMN1; SMN2 60/4885
US-20130190273-A1 Methods for Treating Amyotrophic Lateral Sclerosis Using Pro-Neurogenic Compounds BDNF, GAP43, DCX MAPT 122/4885DNM1 610/4885SMN1; SMN2 19/4885
US-20180318255-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX MAPT 136/4885DNM1 897/4885SMN1; SMN2 50/4885
US-10183011-B2 Anti-depression compounds BDNF, DCX, GAP43 MAPT 142/4885DNM1 638/4885SMN1; SMN2 63/4885
US-20130040977-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX MAPT 136/4885DNM1 897/4885SMN1; SMN2 50/4885
US-20160206596-A1 Anti-depression Compounds BDNF, DCX, GAP43 MAPT 142/4885DNM1 638/4885SMN1; SMN2 63/4885
US-20170157092-A1 Anti-depression Compounds BDNF, DCX, GAP43 MAPT 142/4885DNM1 638/4885SMN1; SMN2 63/4885

“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.