SCHEMBL3680895

SCHEMBL3680895

C=Cc1ccc(N)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.42
PTPN11 Q06124 1/20 0.38
DYRK1A Q13627 1/20 0.38
PLAU P00749 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
F2 P00734 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAOA P21397 1/20 0.36
DRD1 P21728 1/20 0.36
ACHE P22303 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL25941241 0.82 PTPN11 (0.39) CASP1PTPN11DYRK1APLAUKMT2A
SCHEMBL3480852 0.80 CASP1 (0.37) CASP1PTPN11DYRK1APLAUKMT2A
SCHEMBL4036805 0.78 ALDH1A1 (0.46) SLC6A2SLC6A4SLC6A3TSHRTDP1
SCHEMBL18059380 0.78 CASP1 (0.37) CASP1PTPN11DYRK1APLAUKMT2A
SCHEMBL2992480 0.76 TDP1 (0.52) ACHESLC6A2SLC6A4SLC6A3TSHR
SCHEMBL3686421 0.76 CASP1 (0.46) CASP1PTPN11DYRK1APLAUKMT2A
SCHEMBL9967915 0.76
SCHEMBL20607766 0.76 BACE1 (0.41) PLAUKMT2AMEN1LMNAHTT
SCHEMBL6814617 0.76 CYP3A4 (0.52) CASP1PTPN11DYRK1AHTTTSHR
SCHEMBL17873440 0.76 ALDH1A1 (0.44) HTTKDM4EALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5213934-A Core of colorant and binder grafted to polymeric shell XEROX CORPORATION (US) 1993-05-25 US claimed
EP-1753708-B1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME UNIV BRIGHAM YOUNG (US) 2018-02-21 EP disclosed
US-8841477-B2 Sirtuin activating compounds and processes for making the same BRIGHAM YOUNG UNIVERSITY (US) 2014-09-23 US disclosed
US-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME BRIGHAM YOUNG UNIVERSITY (US) 2010-07-22 US disclosed
US-7714161-B2 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY (US) 2010-05-11 US disclosed
US-20080255382-A1 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY 2008-10-16 US disclosed
EP-1753708-A4 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME UNIV BRIGHAM YOUNG (US) 2007-12-26 EP disclosed
EP-1753708-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME Brigham Young University (US) 2007-02-21 EP disclosed
WO-2005069998-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME BRIGHAM YOUNG UNIVERSITY TECHNOLOGY TRANSFER OFFICE (US) 2005-08-04 WO disclosed
US-5213934-A Core of colorant and binder grafted to polymeric shell XEROX CORPORATION (US) 1993-05-25 US disclosed
US-5196531-A Poly(N-cyclic iminoether), process for production thereof, thermosetting composition containing it and thermoset resin TEIJIN LIMITED (JP) 1993-03-23 US disclosed
US-5189094-A Reacting a poly(cyclic iminoether), and ethylenically unsaturated compounds TEIJIN LIMITED (JP) 1993-02-23 US disclosed
EP-0351814-A2 Poly (N-cyclic iminoether), processes for production thereof, thermosetting composition containing it and thermoset resin TEIJIN LIMITED (JP) 1990-01-24 EP disclosed
EP-0336390-A2 Process for producing thermoset resin TEIJIN LIMITED (JP) 1989-10-11 EP disclosed
EP-0099079-B1 CO-VULCANIZABLE COMPOSITIONS BASED ON FLUOROELASTOMERS AND POLYMERIC COMPOUNDS WITH A PERFLUOROETHERIC STRUCTURE AUSIMONT S.p.A. (IT) 1987-05-13 EP disclosed
US-4530969-A Vulcanized with peroxides MONTEDISON S.P.A. (IT) 1985-07-23 US disclosed
EP-0099079-A1 Co-vulcanizable compositions based on fluoroelastomers and polymeric compounds with a perfluoroetheric structure AUSIMONT S.p.A. (IT) 1984-01-25 EP disclosed
US-4131149-A Polyurethane tire sidewalls THE FIRESTONE TIRE & RUBBER COMPANY (US) 1978-12-26 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 (2 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-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME SIRT1, SIRT2, SIRT3 CASP1 3601/4885PTPN11 3375/4885DYRK1A 2169/4885
US-20080255382-A1 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries RB1, SBK1, NADK CASP1 4177/4885PTPN11 1686/4885DYRK1A 1618/4885

“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.