SCHEMBL4990044

SCHEMBL4990044

CS(=O)(=O)Nc1ccc(CC2=NCCN2)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.51
RAD52 P43351 1/20 0.48
TAAR1 Q96RJ0 3/20 0.47
CYP2D6 P10635 2/20 0.47
NFKB1 P19838 1/20 0.47
ADRA1A P35348 8/20 0.45
ADRA1D P25100 7/20 0.45
ADRA1B P35368 7/20 0.45
ADRA2A P08913 6/20 0.45
ADRA2C P18825 6/20 0.45
HTR1B P28222 5/20 0.45
ADRA2B P18089 2/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4993472 0.86 RAD52 (0.49) HTR1DRAD52TAAR1CYP2D6NFKB1
SCHEMBL4986340 0.85 RAD52 (0.51) HTR1DRAD52TAAR1CYP2D6NFKB1
SCHEMBL29924685 0.85 RAD52 (0.51) HTR1DRAD52TAAR1CYP2D6NFKB1
SCHEMBL4997332 0.85 RAD52 (0.51) HTR1DRAD52TAAR1CYP2D6NFKB1
SCHEMBL4992620 0.85 ADRA1D (0.49) HTR1DRAD52TAAR1CYP2D6NFKB1
SCHEMBL5201043 0.84 HTR1D (0.44) HTR1DRAD52TAAR1CYP2D6ADRA1A
SCHEMBL5200888 0.84 RAD52 (0.49) HTR1DRAD52TAAR1CYP2D6NFKB1
SCHEMBL4994698 0.83 HTR1B (0.51) HTR1DRAD52TAAR1CYP2D6NFKB1
Hydrochloric Acid SCHEMBL5200632 0.83 HTR1D (0.43) HTR1DRAD52TAAR1CYP2D6ADRA1A
SCHEMBL5203427 0.83 RAD52 (0.48) HTR1DRAD52TAAR1CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC 2004-10-28 US claimed
US-6756395-B2 CYCLIZATION OF N-(4-CYANOMETHYLPHENYL)METHANESULFONAMIDES WITH ETHYLENEDIAMINE TO FORM N-(4-IMIDAZOL-2-YLMETHYL)-PHENYL) -METHANESULFONAMIDES; INCONTINENCE, SEXUAL DYSFUNCTION, NASAL CONGESTION, AND CNS DISORDERS; ALPHA 1 ADRENERGIC AGONISTS ROCHE PALO ALTO LLC 2004-06-29 US claimed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 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 (1 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-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides RPS6KA1, RPS6KB1, RPS6KA6 HTR1D 3255/4885RAD52 1971/4885TAAR1 3937/4885

“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.