SCHEMBL1120900

SCHEMBL1120900

CS(=O)(=O)Nc1cc(Cl)cc(C(=O)CBr)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
WDR5 P61964 2/20 0.40
EPHX2 P34913 2/20 0.40
POLB P06746 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KIF11 P52732 1/20 0.39
ACP1 P24666 1/20 0.39
RECQL P46063 1/20 0.37
FABP4 P15090 1/20 0.37
PTGS2 P35354 1/20 0.36
PPARG P37231 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
SCHEMBL1120889 0.83 ALDH1A1 (0.43) GSK3BALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL5178749 0.81 WDR5 (0.54) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1
SCHEMBL1120814 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1
SCHEMBL16602636 0.79 ALDH1A1 (0.40) GSK3BALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL38572 0.78 GSK3B (0.49) GSK3BALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL5178012 0.78 POLB (0.60) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1
SCHEMBL1120803 0.77 ALDH1A1 (0.67) GSK3BALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL3784731 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1
SCHEMBL1198757 0.76 GSK3B (0.61) GSK3BFABP4
SCHEMBL11239744 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP disclosed
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 US disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed
EP-1447400-B1 BICYCLIC COMPOUND ASAHI KASEI PHARMA CORP (JP) 2008-09-17 EP disclosed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP disclosed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 US disclosed
US-7271190-B2 Indazole compounds as β3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-18 US disclosed
EP-1277736-B1 NOVEL BICYCLIC COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2007-08-08 EP disclosed
US-7049445-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-05-23 US disclosed
US-6861444-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-01 US disclosed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 EP disclosed
US-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist ASAHI KASEI PHARMA CORPORATION (JP) 2004-07-01 US disclosed
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders ASAHI KASEI PHARMA CORPORATION (JP) 2003-10-09 US disclosed
EP-1277736-A1 NOVEL BICYCLIC COMPOUNDS Asahi Kasei Kabushiki Kaisha (JP) 2003-01-22 EP 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-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist GPR119, ADRB3, DBH GSK3B 1066/4885ALDH1A1 1438/4885SMN1; SMN2 2512/4885
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders GPR119, GIPR, SLC5A2 GSK3B 1579/4885ALDH1A1 1990/4885SMN1; SMN2 1812/4885
US-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 GSK3B 1572/4885ALDH1A1 741/4885SMN1; SMN2 3256/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R GSK3B 460/4885ALDH1A1 3711/4885SMN1; SMN2 4730/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 GSK3B 210/4885ALDH1A1 3156/4885SMN1; SMN2 4413/4885

“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.