SCHEMBL1761836

SCHEMBL1761836

S=c1[nH]c2ncccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 8/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AXL P30530 1/20 0.36
NUDT1 P36639 1/20 0.36
PIM1 P11309 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL29967361 1.00 PSMB8 (0.50) PSMB8KDM4EALDH1A1HPGDCYP3A4
SCHEMBL341252 0.75 PDE3B (0.49) ALDH1A1AURKAPARP1DAO
SCHEMBL30775064 0.69 PSMB8 (0.48) PSMB8KDM4EALDH1A1HPGDCYP3A4
SCHEMBL1002214 0.69 PSMB8 (0.48) PSMB8KDM4EALDH1A1HPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL29433968 0.67 PSMB8 (1.00) PSMB8KDM4EALDH1A1HPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL408087 0.67 PSMB8 (1.00) PSMB8KDM4EALDH1A1HPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL4268289 0.65 PSMB8 (0.95) PSMB8KDM4EALDH1A1HPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL29729650 0.65 PSMB8 (0.95) PSMB8KDM4EALDH1A1HPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL8749352 0.65 PSMB8 (0.95) PSMB8KDM4EALDH1A1HPGDCYP3A4
2-Mercaptobenzothiazole SCHEMBL5934103 0.65 PSMB8 (0.95) PSMB8KDM4EALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 US disclosed
EP-2707373-A1 BICYCLIC (THIO)CARBONYLAMIDINES Bayer Intellectual Property GmbH (DE) 2014-03-19 EP disclosed
WO-2012152741-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-15 WO disclosed
US-8283360-B2 Bicyclic heterocyclic derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-10-09 US disclosed
US-8283360-B2 Bicyclic heterocyclic derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-10-09 US disclosed
US-20110319434-A1 Bicyclic Heterocyclic Derivatives and Methods of Use Thereof SCHERING PLOUGH CORPORATION (US) 2011-12-29 US disclosed
US-20110319434-A1 Bicyclic Heterocyclic Derivatives and Methods of Use Thereof SCHERING PLOUGH CORPORATION (US) 2011-12-29 US disclosed
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2011-05-19 US disclosed
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2011-05-19 US disclosed
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2011-05-19 US disclosed
EP-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP disclosed
US-7759376-B2 Preparation and use of biphenyl-4-yl-carbonylamino acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2010-07-20 US disclosed
US-7759376-B2 Preparation and use of biphenyl-4-yl-carbonylamino acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2010-07-20 US disclosed
US-7759376-B2 Preparation and use of biphenyl-4-yl-carbonylamino acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2010-07-20 US disclosed
EP-1805156-A4 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORP (US) 2009-06-10 EP disclosed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 US disclosed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 US disclosed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 US disclosed
EP-1805156-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2007-07-11 EP disclosed
WO-2006044775-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-27 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 (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-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity FABP4, GPR119, PGC PSMB8 2981/4885KDM4E 278/4885ALDH1A1 93/4885
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, PGC PSMB8 2981/4885KDM4E 278/4885ALDH1A1 93/4885
US-20110319434-A1 Bicyclic Heterocyclic Derivatives and Methods of Use Thereof GPR119, GID4, TLR4 PSMB8 3459/4885KDM4E 3960/4885ALDH1A1 1161/4885
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BROX, BOLA2; BOLA2B, CAT PSMB8 1558/4885KDM4E 1905/4885ALDH1A1 1780/4885

“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.