SCHEMBL7101674

SCHEMBL7101674

CCS(=O)(=O)Nc1cccc2c1SCCC2c1c[nH]cn1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.44
ADRA1A P35348 3/20 0.43
PSIP1 O75475 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
Maleic Acid SCHEMBL7103102 0.93 ADRA2A (0.39) ADRA2AADRA1ADRD2DRD1
Fumaric Acid SCHEMBL7103108 0.93 ADRA2A (0.39) ADRA2AADRA1ADRD2DRD1
SCHEMBL7098531 0.89 ADRA2A (0.43) ADRA2AADRA1APSIP1ALDH1A1LMNA
SCHEMBL7100769 0.82 ADRA2A (0.65) ADRA2AADRA1ADRD2DRD1
SCHEMBL7100485 0.80 ADRA2A (0.66) ADRA2AADRA1A
SCHEMBL7105148 0.80 ADRA1A (0.46) ADRA2AADRA1APSIP1
SCHEMBL7101615 0.79 ADRA2A (0.46) ADRA2AADRA1A
SCHEMBL7252850 0.79 ADRA2A (0.70) ADRA2A
SCHEMBL7102952 0.79 ADRA2A (0.62) ADRA2AADRA1A
SCHEMBL7102363 0.77 ADRA2A (0.48) ADRA2AADRA1A

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 4 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
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

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 ADRA2A 8/4885ADRA1A 3/4885PSIP1 2844/4885

“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.