SCHEMBL4277237

SCHEMBL4277237

C=CCc1ccc[nH]c1=N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
AKR1B1 P15121 1/20 0.33
ADRA2B P18089 6/20 0.33
ADRA2C P18825 6/20 0.33
ADRA2A P08913 5/20 0.33
HTR1A P08908 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2074570 0.78 DAO (0.42) GABRA1GABRB2AKR1B1ADRA2BADRA2C
SCHEMBL5691773 0.78 HDAC8 (0.42) GABRA1GABRB2AKR1B1ADRA2BADRA2C
SCHEMBL173300 0.71 GABRA1 (0.56) GABRA1GABRB2AKR1B1ADRA2BADRA2C
SCHEMBL29763626 0.71 GABRA1 (0.56) GABRA1GABRB2AKR1B1ADRA2BADRA2C
SCHEMBL9319 0.71
SCHEMBL1531012 0.71 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL27763265 0.70
Hydrogen Sulfide SCHEMBL29094904 0.70
Methane SCHEMBL27677204 0.70
Hydrochloric Acid SCHEMBL27996106 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104093560-B Thin-film laminate 日本曹达株式会社 2016-10-26 CN disclosed
CN-104093560-A Thin-film laminate NIPPON SODA CO 2014-10-08 CN disclosed
US-8084471-B2 Proteomimetic compounds as inhibitors of the interaction of nuclear receptor with coactivator peptides YALE UNIVERSITY (US) 2011-12-27 US disclosed
CN-101087813-B Method for removing metal and method for producing polymer NIPPON SODA CO 2010-05-12 CN disclosed
CN-100594184-C Dispersion of titanium oxide particles, titanium oxide thin film, solution for forming organic functional film, substrate having organic functional film formed thereon and method for producing same NIPPON SODA CO 2010-03-17 CN disclosed
CN-100551944-C Polymer solid electrolyte NIPPON SODA CO (JP) 2009-10-21 CN disclosed
US-20090220586-A1 PROTEOMIMETIC COMPOUNDS AS INHIBITORS OF THE INTERACTION OF NUCLEAR RECEPTOR WITH COACTIVATOR PEPTIDES YALE UNIVERSITY (US) 2009-09-03 US disclosed
WO-2008030408-A2 PROTEOMIMETIC COMPOUNDS AS INHIBITORS OF THE INTERACTION OF A NUCLEAR RECEPTOR WITH COACTIVATOR PEPTIDES YALE UNIVERSITY (US) 2008-03-13 WO disclosed
CN-101115682-A Dispersion of titanium oxide particles, titanium oxide thin film, solution for forming organic functional film, substrate having organic functional film formed thereon and method for producing same NIPPON SODA CO (JP) 2008-01-30 CN disclosed
CN-101087813-A Method for removing metal and method for producing polymer NIPPON SODA CO (JP) 2007-12-12 CN disclosed
CN-1668662-A Solid polymer electrolyte NIPPON SODA CO (JP) 2005-09-14 CN 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 (1 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-20090220586-A1 PROTEOMIMETIC COMPOUNDS AS INHIBITORS OF THE INTERACTION OF NUCLEAR RECEPTOR WITH COACTIVATOR PEPTIDES NCOA1, NCOA2, NCOA3 GABRA1 2177/4885GABRB2 1918/4885AKR1B1 2971/4885

“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.