SCHEMBL10265342

SCHEMBL10265342

O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NCCNC(=O)COc1ccc(NCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
PKM P14618 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CAMK2B Q13554 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TPSAB1 Q15661 1/20 0.42
KEAP1 Q14145 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
PDE6D O43924 1/20 0.42
FOLH1 Q04609 1/20 0.42

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
SCHEMBL410623 1.00 ADORA2A (0.49) ADORA2AADORA2BPKMCSNK2A2CSNK2B
SCHEMBL19559321 0.80 TSPO (0.50)
SCHEMBL14689614 0.79 EGFR (0.48) PKMTDP1CA12CA1CA2
SCHEMBL16709351 0.79 EGFR (0.48) PKMTDP1CA12CA1CA2
SCHEMBL12960753 0.73 ADORA2A (0.58) ADORA2AADORA2BPKMCSNK2A2CSNK2B
SCHEMBL1082044 0.73 ADORA2A (0.58) ADORA2AADORA2BPKMCSNK2A2CSNK2B
SCHEMBL19547481 0.72 TSPO (0.58)
SCHEMBL18088453 0.72 OPRM1 (0.50) PKMF2PRSS1PRSS2PRSS3
SCHEMBL18721926 0.71 TSPO (0.57)
SCHEMBL18736481 0.71 TDP1 (0.54) ADORA2AADORA2BPKMCSNK2A2CSNK2B

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 32 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-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-9446042-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-09-20 US disclosed
WO-2014031125-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 WO 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-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-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-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 (12 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 ADORA2A 632/4885ADORA2B 841/4885PKM 2044/4885
US-20130184271-A1 Methods for Treating Parkinson's Disease Using Pro-Neurogenic Compounds BDNF, GAP43, NES ADORA2A 2508/4885ADORA2B 3228/4885PKM 3154/4885
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BDNF, GAP43, DCX ADORA2A 2455/4885ADORA2B 3133/4885PKM 3688/4885
US-20180127367-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX ADORA2A 2455/4885ADORA2B 3133/4885PKM 3688/4885
US-20130190339-A1 Pro-Neurogenic Compounds DCX, GAP43, BDNF ADORA2A 1532/4885ADORA2B 1965/4885PKM 2821/4885
US-10183011-B2 Anti-depression compounds BDNF, DCX, GAP43 ADORA2A 1940/4885ADORA2B 2726/4885PKM 3619/4885
US-20130040977-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX ADORA2A 2455/4885ADORA2B 3133/4885PKM 3688/4885
US-20160362373-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX ADORA2A 2455/4885ADORA2B 3133/4885PKM 3688/4885
US-20110003836-A1 Pro-Neurogenic Compounds DCX, GAP43, BDNF ADORA2A 1500/4885ADORA2B 1880/4885PKM 2867/4885
US-20130184300-A1 Methods of Treating Traumatic Brain Injury Using Pro-Neurogenic Compounds DCX, GAP43, BDNF ADORA2A 618/4885ADORA2B 766/4885PKM 2363/4885
US-20160362372-A1 PRO-NEUROGENIC COMPOUNDS DCX, GAP43, BDNF ADORA2A 1532/4885ADORA2B 1965/4885PKM 2821/4885
US-20170157092-A1 Anti-depression Compounds BDNF, DCX, GAP43 ADORA2A 1940/4885ADORA2B 2726/4885PKM 3619/4885

“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.