SCHEMBL1120930

SCHEMBL1120930

CNS(=O)(=O)c1cccc(C(C)=O)c1OCc1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.56
MAOA P21397 4/20 0.56
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP14 P50281 1/20 0.45
ADAM17 P78536 1/20 0.45
ESR1 P03372 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
NR3C2 P08235 1/20 0.45
AR P10275 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
ADAMTS4 O75173 1/20 0.42
MMP13 P45452 1/20 0.42
PARP15 Q460N3 3/20 0.42
PARP10 Q53GL7 2/20 0.42
PARP14 Q460N5 1/20 0.42
HPD P32754 1/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL11470293 0.86 MAOB (0.58) MAOBMAOAMMP2MMP9MMP14
SCHEMBL1221635 0.80 MAOB (0.53) MAOBMAOAMMP2MMP9MMP14
SCHEMBL11596038 0.79 MAOB (0.61) MAOBMAOAESR1NR3C1PGR
SCHEMBL6074417 0.78 MAOB (0.49) MAOBMAOAMMP2MMP9MMP14
SCHEMBL6895382 0.78 MAOB (0.60) MAOBMAOAESR1NR3C1PGR
SCHEMBL5194173 0.77 MAPT (0.44) MAOBMAOAMMP2MMP9MMP14
SCHEMBL3148815 0.71 MAPT (0.47) MAOBALDH1A1SMN1; SMN2
SCHEMBL4892139 0.68 THRA (0.55) MAOBMAOAMMP2MMP9MMP14
SCHEMBL10524077 0.67 MAOB (0.57) MAOBMAOAESR1NR3C1PGR
SCHEMBL10795863 0.66 ALDH1A1 (0.61) MAOBMAOAMMP2MMP9ESR1

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 MAOB 489/4885MAOA 706/4885MMP2 3384/4885
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders GPR119, GIPR, SLC5A2 MAOB 666/4885MAOA 716/4885MMP2 3703/4885
US-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 MAOB 1342/4885MAOA 1452/4885MMP2 1644/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R MAOB 153/4885MAOA 399/4885MMP2 4133/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 MAOB 295/4885MAOA 447/4885MMP2 4126/4885

“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.