SCHEMBL4986004

SCHEMBL4986004

CCOc1cc(CC2=NCCN2)ccc1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 8/20 0.45
HTR1D P28221 5/20 0.45
RAD52 P43351 1/20 0.44
HTR1B P28222 4/20 0.44
TAAR1 Q96RJ0 3/20 0.43
CYP2D6 P10635 2/20 0.43
NFKB1 P19838 1/20 0.43
ADRA2A P08913 6/20 0.41
ADRA1D P25100 6/20 0.41
ADRA1B P35368 6/20 0.41
ADRA2C P18825 4/20 0.41
ADRA2B P18089 2/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP19A1 P11511 1/20 0.40
PTGIR P43119 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
SCHEMBL4994698 0.89 HTR1B (0.51) ADRA1AHTR1DRAD52HTR1BTAAR1
SCHEMBL4993472 0.82 RAD52 (0.49) ADRA1AHTR1DRAD52HTR1BTAAR1
SCHEMBL5200788 0.82 HTR1B (0.51) ADRA1AHTR1DRAD52HTR1BTAAR1
SCHEMBL4992620 0.81 ADRA1D (0.49) ADRA1AHTR1DRAD52HTR1BTAAR1
SCHEMBL4997332 0.81 RAD52 (0.51) ADRA1AHTR1DRAD52HTR1BTAAR1
SCHEMBL4990044 0.81 HTR1D (0.51) ADRA1AHTR1DRAD52HTR1BTAAR1
SCHEMBL4986340 0.81 RAD52 (0.51) ADRA1AHTR1DRAD52HTR1BTAAR1
SCHEMBL29924685 0.81 RAD52 (0.51) ADRA1AHTR1DRAD52HTR1BTAAR1
SCHEMBL14092056 0.81 LMNA (0.52) ADRA1AHTR1DRAD52HTR1BTAAR1
Hydrochloric Acid SCHEMBL5201882 0.81 HTR1B (0.50) ADRA1AHTR1DRAD52HTR1BTAAR1

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 ADRA1A 2525/4885HTR1D 3255/4885RAD52 1971/4885

“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.