SCHEMBL922980

SCHEMBL922980

COCc1ccc(C(=O)NCc2ccc(Oc3ccccc3)s2)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK14 Q16539 1/20 0.36
KLKB1 P03952 2/20 0.36
MAPK8 P45983 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL1680563 0.90 ALOX15 (0.35) ALDH1A1MAPK14KLKB1MAPK8L3MBTL1
SCHEMBL1680893 0.89 ADORA2A (0.42) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL1680903 0.89 ADORA2A (0.39) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL1681109 0.89 MAPK14 (0.38) ADORA2AADORA1ALDH1A1MAPK14KLKB1
SCHEMBL12360906 0.87 MAPK14 (0.35) ALDH1A1MAPK14KLKB1MAPK8L3MBTL1
SCHEMBL1681036 0.86 MAPK14 (0.36) ALDH1A1MAPK14KLKB1MAPK8L3MBTL1
SCHEMBL1680806 0.86 KDM4E (0.38) ADORA2AALDH1A1KLKB1MAPK8HPGD
SCHEMBL920425 0.86 KLKB1 (0.40) ADORA2AADORA1ALDH1A1MAPK14KLKB1
SCHEMBL1681098 0.86 TDP1 (0.37) ALDH1A1MAPK14KLKB1MAPK8L3MBTL1
SCHEMBL1680856 0.86 ALDH1A1 (0.40) ADORA2AADORA1ALDH1A1MAPK14KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP 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 (4 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 ADORA2A 3245/4885ADORA1 1135/4885ADORA3 1353/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD ADORA2A 1698/4885ADORA1 428/4885ADORA3 845/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 ADORA2A 4433/4885ADORA1 3433/4885ADORA3 4087/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 ADORA2A 2969/4885ADORA1 888/4885ADORA3 1126/4885

“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.