SCHEMBL411024

SCHEMBL411024

Brc1ccc2c(c1)c1cc(Br)ccc1n2C[C@@H]1CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
DHFR P00374 1/20 0.51
SIGMAR1 Q99720 1/20 0.44
TP53 P04637 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DNM1 Q05193 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
BAX Q07812 1/20 0.41
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
HBB P68871 1/20 0.39
P2RX3 P56373 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 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
SCHEMBL409341 1.00 MAPT (1.00) MAPTDHFRSIGMAR1TP53MAPK1
SCHEMBL31454826 1.00 MAPT (1.00) MAPTDHFRSIGMAR1TP53MAPK1
SCHEMBL409340 1.00 MAPT (1.00) MAPTDHFRSIGMAR1TP53MAPK1
SCHEMBL412013 0.92 MAPT (0.85) MAPTDHFRSIGMAR1TP53MAPK1
SCHEMBL411029 0.91 MAPT (0.82) MAPTDHFRSIGMAR1TP53MAPK1
SCHEMBL407117 0.87 MAPT (0.76) MAPTDHFRSIGMAR1TP53MAPK1
SCHEMBL410649 0.84 MAPT (0.72) MAPTDHFRSIGMAR1TP53MAPK1
SCHEMBL14689874 0.84 MAPT (0.72) MAPTDHFRSIGMAR1TP53MAPK1
SCHEMBL409550 0.83 MAPT (0.71) MAPTSIGMAR1TP53MAPK1ALDH1A1
SCHEMBL17138584 0.79 MAPT (0.65) MAPTDHFRTP53SMN1; SMN2HBB

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 35 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-20180318255-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-11-08 US disclosed
US-20180127367-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-05-10 US disclosed
US-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
US-9884820-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-06 US disclosed
EP-2590647-B1 PRO-NEUROGENIC COMPOUNDS UNIV TEXAS (US) 2017-11-08 EP 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-20160362372-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-12-15 US disclosed
US-20160362373-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-12-15 US disclosed
US-20130190339-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-07-25 US disclosed
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 disclosed
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 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
EP-2590647-A2 PRO-NEUROGENIC COMPOUNDS Board of Regents of the University of Texas System (US) 2013-05-15 EP disclosed
US-20130040977-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2013-02-14 US disclosed
US-8362277-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-29 US disclosed
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-26 US disclosed
WO-2012006419-A2 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 WO disclosed
US-20110003836-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-06 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 (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 MAPT 578/4885DHFR 3070/4885SIGMAR1 695/4885
US-20130184271-A1 Methods for Treating Parkinson's Disease Using Pro-Neurogenic Compounds BDNF, GAP43, NES MAPT 141/4885DHFR 2154/4885SIGMAR1 2252/4885
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BDNF, GAP43, DCX MAPT 136/4885DHFR 2444/4885SIGMAR1 2231/4885
US-20180127367-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX MAPT 136/4885DHFR 2444/4885SIGMAR1 2231/4885
US-20180318255-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX MAPT 136/4885DHFR 2444/4885SIGMAR1 2231/4885
US-20130190339-A1 Pro-Neurogenic Compounds DCX, GAP43, BDNF MAPT 559/4885DHFR 2356/4885SIGMAR1 1003/4885
US-10183011-B2 Anti-depression compounds BDNF, DCX, GAP43 MAPT 142/4885DHFR 2190/4885SIGMAR1 2283/4885
US-20130040977-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX MAPT 136/4885DHFR 2444/4885SIGMAR1 2231/4885
US-20160362373-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX MAPT 136/4885DHFR 2444/4885SIGMAR1 2231/4885
US-20110003836-A1 Pro-Neurogenic Compounds DCX, GAP43, BDNF MAPT 571/4885DHFR 2447/4885SIGMAR1 922/4885
US-20130184300-A1 Methods of Treating Traumatic Brain Injury Using Pro-Neurogenic Compounds DCX, GAP43, BDNF MAPT 520/4885DHFR 1971/4885SIGMAR1 2068/4885
US-20160362372-A1 PRO-NEUROGENIC COMPOUNDS DCX, GAP43, BDNF MAPT 559/4885DHFR 2356/4885SIGMAR1 1003/4885
US-20170157092-A1 Anti-depression Compounds BDNF, DCX, GAP43 MAPT 142/4885DHFR 2190/4885SIGMAR1 2283/4885

“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.