SCHEMBL7101717

SCHEMBL7101717

Cc1ccc(S(=O)(=O)Nc2cccc3c2CCCC3c2c[nH]cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
ADRA2A P08913 3/20 0.48
ADRA1A P35348 1/20 0.48
RCE1 Q9Y256 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MITF O75030 1/20 0.41
S1PR4 O95977 1/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 1/20 0.41
AGTR1 P30556 1/20 0.41
OPRK1 P41145 1/20 0.41
CKS1B P61024 1/20 0.41
KMT2A Q03164 1/20 0.41
SKP2 Q13309 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7101826 0.90 ADRA2A (0.47) ADRA2AADRA1ASLC40A1
SCHEMBL7102953 0.86 ADRA2A (0.48) ADRA2AADRA1ASLC40A1
SCHEMBL7102869 0.86 ADRA2A (0.65) ADRA2AADRA1A
SCHEMBL7097697 0.86 ADRA2A (0.65) ADRA2AADRA1A
SCHEMBL7097480 0.86 ADRA2A (0.65) ADRA2AADRA1A
SCHEMBL7100485 0.84 ADRA2A (0.66) ADRA2AADRA1A
SCHEMBL7097656 0.84 ADRA2A (0.52) ADRA2AADRA1A
SCHEMBL7102458 0.83 ADRA2A (0.48) ALDH1A1ADRA2AADRA1ALMNAMAPT
SCHEMBL7105258 0.83 ADRA2A (0.61) ADRA2AADRA1A
SCHEMBL7102663 0.82 GAA (0.48) ADRA2AADRA1AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US claimed
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP claimed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO claimed
EP-1102754-A1 IMIDAZOLES AND RELATED COMPOUNDS AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-05-30 EP claimed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 WO claimed
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 US disclosed
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO disclosed
EP-1102754-A1 IMIDAZOLES AND RELATED COMPOUNDS AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-05-30 EP disclosed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 WO 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A ALDH1A1 263/4885ADRA2A 8/4885ADRA1A 3/4885

“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.