SCHEMBL2820847

SCHEMBL2820847

O=C(O)C(=O)c1ccc(Br)s1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.78
CES1 P23141 1/20 0.78
DAO P14920 1/20 0.68
GSK3B P49841 2/20 0.55
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.48
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ESR1 P03372 1/20 0.47
MEN1 O00255 2/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL71972 0.81
SCHEMBL14854122 0.80 CES2 (0.75) CES2CES1DAOGSK3BKMT2A
SCHEMBL14854150 0.80 CES2 (0.75) CES2CES1DAOGSK3BKMT2A
SCHEMBL13437714 0.79 CES2 (0.73) CES2CES1DAOGSK3BKMT2A
SCHEMBL28774604 0.78 DAO (0.63) CES2CES1DAOGSK3BKMT2A
SCHEMBL1244072 0.78 CES2 (0.73) CES2CES1DAOGSK3BKMT2A
SCHEMBL10915819 0.75 DAO (0.59) CES2CES1DAOGSK3BKMT2A
SCHEMBL1455897 0.74
SCHEMBL345568 0.74
SCHEMBL1476181 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2764034-B1 POLYMERS BASED ON BENZODIONES CLAP CO LTD (KR) 2023-08-30 EP disclosed
US-9240551-B2 Polymers based on benzodiones BASF SE (DE) 2016-01-19 US disclosed
US-9240551-B2 Polymers based on benzodiones BASF SE (DE) 2016-01-19 US disclosed
US-20140302637-A1 POLYMERS BASED ON BENZODIONES BASF SE (DE) 2014-10-09 US disclosed
US-20140302637-A1 POLYMERS BASED ON BENZODIONES BASF SE (DE) 2014-10-09 US disclosed
WO-2013050401-A2 POLYMERS BASED ON BENZODIONES BASF SE (DE) 2013-04-11 WO disclosed
US-7846671-B2 Methods of screening for agents that modulate the interaction of RGS and Gαq and urinary incontinence BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-7846671-B2 Methods of screening for agents that modulate the interaction of RGS and Gαq and urinary incontinence BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-7846671-B2 Methods of screening for agents that modulate the interaction of RGS and Gαq and urinary incontinence BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-7718670-B2 Quinuclidine amide derivatives LABORATORIOS ALMIRALL S.A (ES) 2010-05-18 US disclosed
EP-1499279-A2 MOLECULES THAT MODULATE GaQ ACTIVITY AND METHODS OF TREATING URINARY INCONTINENCE BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-26 EP disclosed
US-20040014135-A1 Molecules that modulate Galphaq avtivity and methods of treating urinary incontinence BRISTOL-MYERS SQUIBB COMPANY 2004-01-22 US disclosed
WO-2004005285-A1 NEW QUINUCLIDINE AMIDE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2004-01-15 WO disclosed
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
WO-2003063784-A2 MOLECULES THAT MODULATE GαQ ACTIVITY AND METHODS OF TREATING URINARY INCONTINENCE BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-07 WO disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 US disclosed
EP-0861242-B1 HETEROCYCLIC FUNGICIDES AVENTIS CROPSCIENCE UK LTD (GB) 2001-05-30 EP disclosed
US-6034121-A AGRICULTURE AGREVO UK LIMITED (GB) 2000-03-07 US disclosed
EP-0861242-A1 HETEROCYCLIC FUNGICIDES AgrEvo UK Limited (GB) 1998-09-02 EP disclosed
WO-1997013762-A1 HETEROCYCLIC FUNGICIDES AGREVO UK LIMITED (GB) 1997-04-17 WO 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-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 CES2 2835/4885CES1 945/4885DAO 3738/4885

“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.