SCHEMBL1120778

SCHEMBL1120778

CS(=O)(=O)Nc1cc(C(=O)CBr)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.46
GSK3B P49841 3/20 0.45
KDM4E B2RXH2 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 6/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
PTPN1 P18031 2/20 0.41
SCN9A Q15858 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
TSHR P16473 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
SCHEMBL7532986 0.88 ADRB3 (0.48) ADRB3GSK3BKDM4ESMN1; SMN2HSD17B10
SCHEMBL14038485 0.87 ALDH1A1 (0.47) ADRB3KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL7110199 0.85 GSK3B (0.41) GSK3BKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7107204 0.84 ADRB3 (0.47) ADRB3GSK3BKDM4ESMN1; SMN2HSD17B10
SCHEMBL2546108 0.84 ADRB3 (0.64) ADRB3GSK3BKDM4ESMN1; SMN2HSD17B10
SCHEMBL7036188 0.82 ADRB3 (0.46) ADRB3GSK3BKDM4ESMN1; SMN2HSD17B10
SCHEMBL7109039 0.82 ADRB3 (0.46) ADRB3GSK3BKDM4ESMN1; SMN2HSD17B10
SCHEMBL3526841 0.81 ALDH1A1 (0.60) KDM4ESMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL3249787 0.81 ALDH1A1 (0.53) ADRB3KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL7039348 0.80 ALDH1A1 (0.50) ADRB3GSK3BKDM4ESMN1; SMN2HSD17B10

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 35 patents — showing the first 20. 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
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
US-6187809-B1 BETA-3 ADRENALINE RECEPTOR AGONIST DRUGS FOR THE TREATMENT OF DIABETES, OBESITY, AND HYPERLIPEMIA; 2-(N-(2-(DIBENZOFURAN-3-YLOXY)ETHYL)AMINO)-1-PHENYLETHANOL, FOR EXAMPLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
US-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP disclosed
US-6037362-A CARBAZOLE DERIVATIVES; DEPROTECTING, AMINATION; ANTILIPEMIC AND ANTIDIABETIC AGENTS; B-ADRENALINE RECEPTOR AGONISTS; DIETETICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-03-14 US disclosed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 EP disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 EP disclosed
US-5405872-A Anti-hypertensive tetralins BURROUGHS WELLCOME CO. (US) 1995-04-11 US disclosed
WO-1992005143-A1 ANTI-HYPERTENSIVE TETRALINS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-02 WO disclosed
EP-0030030-A1 Derivatives of 2-aminoethanol, processes for their preparation, pharmaceutical compositions containing such compounds and the use the latter CIBA-GEIGY AG (CH) 1981-06-10 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 (2 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-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R ADRB3 5/4885GSK3B 460/4885KDM4E 3516/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 ADRB3 1/4885GSK3B 210/4885KDM4E 4115/4885

“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.