SCHEMBL2387364

SCHEMBL2387364

CS(=O)(=O)Nc1ccc(CC2=NCCN2)c(Br)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 11/20 0.45
ADRA1D P25100 8/20 0.45
ADRA1B P35368 8/20 0.45
ADRA2C P18825 6/20 0.45
ADRA2A P08913 6/20 0.45
HTR1D P28221 5/20 0.41
HTR1B P28222 4/20 0.41
TAAR1 Q96RJ0 2/20 0.40
ADRA2B P18089 1/20 0.40
RAD52 P43351 1/20 0.38

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
Hydrochloric Acid SCHEMBL3726001 0.99 ADRA1A (0.44) ADRA1AADRA1DADRA1BADRA2CADRA2A
Methane SCHEMBL3662291 0.87 RAD52 (0.43) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL4986530 0.87 ADRA1A (0.50) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL12304316 0.86 HTR1D (0.41) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL4992395 0.85 HTR1D (0.50) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL14092049 0.84 HTR1D (0.49) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5200810 0.83 TAAR1 (0.51) ADRA1AADRA1DADRA1BADRA2CADRA2A
Hydrochloric Acid SCHEMBL5203153 0.82 TAAR1 (0.50) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL4983426 0.82 ADRA1A (0.45) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL2381264 0.79 HTR1D (0.43) ADRA1AADRA1DADRA1BADRA2CADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237639-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC. 2011-09-29 US claimed
US-20110237639-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC. 2011-09-29 US disclosed
US-20110237639-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC. 2011-09-29 US disclosed
US-20110237639-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC. 2011-09-29 US disclosed
CN-101925582-A N- [ 3-bromo-2-chloro-4- (4, 5-dihydro-1H-imidazol-2-ylmethyl) -phenyl ] -methanesulfonamide as alpha-1A adrenergic partial agonist for the treatment of incontinence HOFFMANN LA ROCHE 2010-12-22 CN disclosed
EP-2238113-A1 N-[3-BROMO-2-CHLORO-4-(4, 5-DIHYDRO-1H-IMIDAZOL-2-YLMETHYL)-PHENYL] -METHANESULFOAMIDE AS ALPHA-1 A ADRENERGIC PARTIAL AGONIST FOR THE TREATMENT OF INCONTINENCE F. Hoffmann-La Roche AG (CH) 2010-10-13 EP disclosed
EP-2238113-A1 N-[3-BROMO-2-CHLORO-4-(4, 5-DIHYDRO-1H-IMIDAZOL-2-YLMETHYL)-PHENYL] -METHANESULFOAMIDE AS ALPHA-1 A ADRENERGIC PARTIAL AGONIST FOR THE TREATMENT OF INCONTINENCE F. Hoffmann-La Roche AG (CH) 2010-10-13 EP disclosed
WO-2009098134-A1 N-[3-BROMO-2-CHLORO-4-(4, 5-DIHYDRO-1H-IMIDAZOL-2-YLMETHYL)-PHENYL] -METHANESULFOAMIDE AS ALPHA-1 A ADRENERGIC PARTIAL AGONIST FOR THE TREATMENT OF INCONTINENCE F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 WO disclosed
WO-2009098134-A1 N-[3-BROMO-2-CHLORO-4-(4, 5-DIHYDRO-1H-IMIDAZOL-2-YLMETHYL)-PHENYL] -METHANESULFOAMIDE AS ALPHA-1 A ADRENERGIC PARTIAL AGONIST FOR THE TREATMENT OF INCONTINENCE F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 WO disclosed
WO-2009098134-A1 N-[3-BROMO-2-CHLORO-4-(4, 5-DIHYDRO-1H-IMIDAZOL-2-YLMETHYL)-PHENYL] -METHANESULFOAMIDE AS ALPHA-1 A ADRENERGIC PARTIAL AGONIST FOR THE TREATMENT OF INCONTINENCE F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 WO disclosed
US-20090197932-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC 2009-08-06 US disclosed
US-20090197932-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC 2009-08-06 US disclosed
US-20090197932-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC 2009-08-06 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 (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-20110237639-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ADRA1A, ADRA1D, ADRB1 ADRA1A 1/4885ADRA1D 2/4885ADRA1B 4/4885
US-20090197932-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ADRA1A, ADRA2A, ADRA1D ADRA1A 1/4885ADRA1D 3/4885ADRA1B 5/4885

“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.