SCHEMBL548490

SCHEMBL548490

O=C(O)c1ccc2nonc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA3 P42263 1/20 0.56
GRIA4 P48058 1/20 0.56
ADORA3 P0DMS8 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55
ADORA1 P30542 1/20 0.55
EPHX2 P34913 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
ENPP2 Q13822 2/20 0.52
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 3/20 0.49

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
Hydrochloric Acid SCHEMBL562597 0.98 GRIA3 (0.54) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL15347908 0.89 ADORA3 (0.48) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL548652 0.82 GRIA3 (0.54) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL1708565 0.82 GRIA3 (0.54) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL30356124 0.82 GRIA3 (0.54) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL2733233 0.82 GRIA3 (0.54) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL26643151 0.81 RARA (0.46) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL14081326 0.79 ENPP2 (0.52) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL9731669 0.77 ADORA3 (0.50) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL13689278 0.77 GAA (0.50) GRIA3GRIA4ADORA3ADORA2AADORA2B

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 294 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4127157-B1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS ENCODIA INC (US) 2026-02-11 EP claimed
US-20240011009-A1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2024-01-11 US claimed
US-20230220589-A1 POLYPEPTIDE TERMINAL BINDERS AND USES THEREOF Encodia, Inc. (US) 2023-07-13 US claimed
EP-4127157-A1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2023-02-08 EP claimed
WO-2022072560-A1 POLYPEPTIDE TERMINAL BINDERS AND USES THEREOF Encodia, Inc. (US) 2022-04-07 WO claimed
WO-2021194908-A1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2021-09-30 WO claimed
US-8885135-B2 Nanostructure-film LCD devices SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-11-11 US claimed
US-20120308771-A1 NANOSTRUCTURE FILMS DRAZAIC PAUL (US) 2012-12-06 US claimed
JP-2011527809-A 2011-11-04 JP claimed
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP claimed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US claimed
WO-2009152146-A1 IMPROVED CNT/TOPCOAT PROCESSES FOR MAKING A TRANSPLANT CONDUCTOR UNIDYM, INC. (US) 2009-12-17 WO claimed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP claimed
US-20090147167-A1 Nanostructure-Film LCD Devices SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-06-11 US claimed
WO-2009058763-A1 NANOSTRUCTURE-FILM LCD DEVICES UNIDYM, INC. (US) 2009-05-07 WO claimed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
US-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S.A. (FR) 2005-08-04 US claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
WO-2001021160-B1 CARBOXYMIDE AND ANILINE DERIVATIVES AS SELECTIVE INHIBITORS OF PATHOGENS AXXIMA PHARMACEUTICALS AG (DE) 2002-05-30 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 GRIA3 183/4885GRIA4 86/4885ADORA3 244/4885
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 GRIA3 421/4885GRIA4 409/4885ADORA3 65/4885
US-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation HEXD, CDK5, CHUK GRIA3 904/4885GRIA4 1459/4885ADORA3 755/4885

“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.