SCHEMBL1748356

SCHEMBL1748356

CC(C)c1ccc2nc(Nc3ccc(Br)cc3F)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 8/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
SCN4A P35499 1/20 0.46
DYRK1A Q13627 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 6/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
MCL1 Q07820 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LRRK2 Q5S007 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL12593856 0.84 NPC1 (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1748057 0.84 MAPT (0.58) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL12428710 0.81 HSD17B1 (0.51) RAB9ANPC1MEN1KMT2ADYRK1A
SCHEMBL1748195 0.81 RAB9A (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1748255 0.81 NPC1 (0.60) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1747973 0.80 NPC1 (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1747917 0.80 DYRK1A (0.51) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1748062 0.77 DGAT1 (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13201319 0.73 NPC1 (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1761585 0.73 DGAT1 (0.67) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
US-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 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
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-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 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
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-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
CN-1816531-A Process for the preparation of aryl alkyl acid derivatives and their use for the treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2006-08-09 CN disclosed
EP-1633722-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2006-03-15 EP disclosed
WO-2004100881-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-25 WO disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 US 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 RAB9A 2219/4885NPC1 466/4885MEN1 4497/4885
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC RAB9A 2066/4885NPC1 187/4885MEN1 4348/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC RAB9A 2066/4885NPC1 187/4885MEN1 4348/4885
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, PGC RAB9A 2219/4885NPC1 466/4885MEN1 4497/4885

“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.