SCHEMBL640171

SCHEMBL640171

O=[C]On1nnc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
KMT2A Q03164 5/20 0.47
SIRT2 Q8IXJ6 3/20 0.47
MAPT P10636 2/20 0.46
SLC9A1 P19634 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL15007534 0.79 TSHR (0.50) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL736439 0.78 TSHR (0.61) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL29389351 0.78 TSHR (0.61) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL17110689 0.76 TSHR (0.59) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL31483487 0.76 TSHR (0.59) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL640172 0.76 TSHR (0.54) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL8404027 0.75 TSHR (0.58) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL798347 0.75 TSHR (0.58) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL21104745 0.75 TSHR (0.58) TSHRNPSR1RXFP1HDAC3HDAC4
SCHEMBL2751 0.75 TSHR (0.58) TSHRNPSR1RXFP1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115023431-B Triterpene compounds, pharmaceutical compositions thereof and use thereof in the treatment of diseases mediated by member 1 of the nuclear receptor subfamily 4 藤济(厦门)生物医药科技有限公司 2024-02-02 CN claimed
CN-115023431-A Triterpenoids, pharmaceutical compositions thereof and use thereof in the treatment of diseases mediated by group 4 members of the nuclear receptor subfamily 藤济(厦门)生物医药科技有限公司 2022-09-06 CN claimed
EP-1700922-B1 3-Substituted 5-Nitroindole derivatives and labeled oligonucleotide probes containing them ROCHE DIAGNOSTICS GMBH (DE) 2016-08-24 EP claimed
US-7772357-B2 Hydrolytically degradable polymers and hydrogels made therefrom NEKTAR THERAPEUTICS (US) 2010-08-10 US claimed
US-7695980-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2010-04-13 US claimed
US-20100004392-A1 Hydrolytically Degradable Polymers and Hydrogels Made Therefrom NEKTAR THERAPEUTICS (US) 2010-01-07 US claimed
EP-1646609-B1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2009-10-14 EP claimed
US-7563902-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2009-07-21 US claimed
EP-1476489-B8 HYDROLYTICALLY DEGRADABLE ALKYLENE OXIDE BASED POLYMERS NEKTAR THERAPEUTICS AL CORP (US) 2008-10-08 EP claimed
EP-1476489-B1 HYDROLYTICALLY DEGRADABLE ALKYLENE OXIDE BASED POLYMERS NEKTAR THERAPEUTICS AL CORP (US) 2008-04-09 EP claimed
US-20060199833-A1 Novel chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2006-09-07 US claimed
US-20060199223-A1 storage stability; immunoassays ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2006-09-07 US claimed
US-20060172358-A1 Novel chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2006-08-03 US claimed
EP-1476489-A1 HYDROLYTICALLY DEGRADABLE ALKYLENE OXIDE BASED POLYMERS Nektar Therapeutics Al, Corporation (US) 2004-11-17 EP claimed
WO-2003070805-A1 HYDROLYTICALLY DEGRADABLE ALKYLENE OXIDE BASED POLYMERS NEKTAR THERAPEUTICS AL, CORPORATION (US) 2003-08-28 WO claimed
US-20030023023-A1 Hydrolytically degradable polymers and hydrogels made therefrom SHEARWATER CORPORATION 2003-01-30 US claimed
US-6348558-B1 OLIGOMERS COMPRISING ALKYLENE OXIDE MONOMERS AND CARBONATE LINKAGES; POLYCARBONATEETHER COPOLYMERS; DRUG DELIVERY; CONJUGATED TO PEPTIDES OR PROTEINS FOR REDUCED IMMUNOGENICITY; STABILITY SHEARWATER CORPORATION 2002-02-19 US claimed
US-5532171-A PHENOTHIAZINE DYES FOR PHOTODYNAMIC THERAPY OF CANCER OR IMMUNOASSAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-02 US claimed
US-5344928-A Phenothiazine compounds for cancer treatment or immunoassay using chemiluminescence TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-06 US claimed
EP-0510668-A2 Phenothiazine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-28 EP 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-20060199833-A1 Novel chemiluminescent compounds and their use LANCL1, LPO, HLCS TSHR 694/4885NPSR1 2176/4885RXFP1 1223/4885
US-20060199223-A1 storage stability; immunoassays SHBG, SELL, XIAP TSHR 1120/4885NPSR1 1908/4885RXFP1 3704/4885
US-20060172358-A1 Novel chemiluminescent compounds and their use LANCL1, LPO, HLCS TSHR 694/4885NPSR1 2176/4885RXFP1 1223/4885

“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.