SCHEMBL7098531

SCHEMBL7098531

CCS(=O)(=O)Nc1cccc2c1SCC2c1c[nH]cn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.43
ADRA1A P35348 3/20 0.42
PSIP1 O75475 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KIT P10721 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP14 Q460N5 1/20 0.32

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
SCHEMBL7101674 0.89 ADRA2A (0.44) ADRA2AADRA1APSIP1ALDH1A1LMNA
SCHEMBL7102363 0.83 ADRA2A (0.48) ADRA2AADRA1AKITFLT1KDR
Fumaric Acid SCHEMBL7103108 0.83 ADRA2A (0.39) ADRA2AADRA1A
Maleic Acid SCHEMBL7103102 0.83 ADRA2A (0.39) ADRA2AADRA1A
SCHEMBL7100769 0.79 ADRA2A (0.65) ADRA2AADRA1A
SCHEMBL7248421 0.78 ADRA2A (0.67) ADRA2A
SCHEMBL7105148 0.77 ADRA1A (0.46) ADRA2AADRA1APSIP1
SCHEMBL7100485 0.77 ADRA2A (0.66) ADRA2AADRA1A
SCHEMBL7098465 0.77 ADRA2A (0.47) ADRA2AADRA1A
SCHEMBL7098637 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 3 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 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

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.