SCHEMBL410057

SCHEMBL410057

COc1cccc(NC[C@@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 1.00
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
OPRM1 P35372 1/20 0.64
DNM1 Q05193 6/20 0.52
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
ERBB2 P04626 1/20 0.39
PTK6 Q13882 1/20 0.39
ELANE P08246 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL10287450 1.00 TSPO (1.00) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL410188 1.00 TSPO (1.00) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL18806386 1.00 TSPO (1.00) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL409626 1.00 TSPO (1.00) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL28629825 0.91 TSPO (0.83) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL30897310 0.91 TSPO (0.83) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL30897306 0.91 TSPO (0.82) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL28635461 0.91 TSPO (0.82) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL18722015 0.88 TSPO (0.78) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL410544 0.87 TSPO (0.78) TSPOCYP1A2CYP2C19OPRM1DNM1

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 34 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
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-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-20190218203-A1 Neuroprotective Compounds and Use Thereof UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2019-07-18 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-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-9902713-B2 Neuroprotective compounds and use thereof BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-27 US disclosed
US-9884820-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-06 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
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-26 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 (9 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-20190218203-A1 Neuroprotective Compounds and Use Thereof NLN, GAP43, BDNF TSPO 414/4885CYP1A2 4824/4885CYP2C19 4884/4885
US-20130184271-A1 Methods for Treating Parkinson's Disease Using Pro-Neurogenic Compounds BDNF, GAP43, NES TSPO 2397/4885CYP1A2 4428/4885CYP2C19 4643/4885
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BDNF, GAP43, DCX TSPO 2470/4885CYP1A2 4486/4885CYP2C19 4751/4885
US-20180127367-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX TSPO 2470/4885CYP1A2 4486/4885CYP2C19 4751/4885
US-20130190273-A1 Methods for Treating Amyotrophic Lateral Sclerosis Using Pro-Neurogenic Compounds BDNF, GAP43, DCX TSPO 2200/4885CYP1A2 4556/4885CYP2C19 4764/4885
US-20180318255-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX TSPO 2470/4885CYP1A2 4486/4885CYP2C19 4751/4885
US-10183011-B2 Anti-depression compounds BDNF, DCX, GAP43 TSPO 2600/4885CYP1A2 4439/4885CYP2C19 4750/4885
US-20140343018-A1 Anti-depression Compounds BDNF, DCX, GAP43 TSPO 2600/4885CYP1A2 4439/4885CYP2C19 4750/4885
US-20130040977-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX TSPO 2470/4885CYP1A2 4486/4885CYP2C19 4751/4885

“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.