SCHEMBL1748096

SCHEMBL1748096

Cc1cc(C)c2sc(Nc3ccc(Br)cc3F)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.40
DYRK1A Q13627 4/20 0.40
DYRK1B Q9Y463 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
EGFR P00533 1/20 0.39
RET P07949 1/20 0.39
KIF5B P33176 1/20 0.39
KDR P35968 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
SCHEMBL1748331 0.80 DYRK1A (0.41) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL4819924 0.80 RAPGEF4 (0.53) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL12593856 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL3696752 0.76 KDR (0.55) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6220441 0.76 KDR (0.55) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1747973 0.75 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL1748057 0.74 MAPT (0.58) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL1748215 0.73 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL12428710 0.72 HSD17B1 (0.51) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL1748356 0.72 RAB9A (0.47) NPC1RAB9ASMN1; SMN2LMNANFKB1

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 11 patents. 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-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 US disclosed
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY SMITH ROGER 2009-10-08 US disclosed
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2009-08-06 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-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
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 (5 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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC NPC1 187/4885RAB9A 2066/4885SMN1; SMN2 3975/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC NPC1 187/4885RAB9A 2066/4885SMN1; SMN2 3975/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC NPC1 187/4885RAB9A 2066/4885SMN1; SMN2 3975/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC NPC1 187/4885RAB9A 2066/4885SMN1; SMN2 3975/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC NPC1 187/4885RAB9A 2066/4885SMN1; SMN2 3975/4885

“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.