SCHEMBL7103403

SCHEMBL7103403

Cc1ccc(NS(C)(=O)=O)c2c1C(c1c[nH]cn1)=CCC2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA1A P35348 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NR3C1 P04150 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL7101523 0.88 ADRA1A (0.31) ADRA2AADRA1AKDM4EHPGDHSD17B10
SCHEMBL7098572 0.81 ADRA1A (0.38) ADRA2AADRA1AKDM4EHPGDHSD17B10
SCHEMBL7104848 0.78 ADRA2A (0.33) ADRA2AADRA1A
SCHEMBL7102120 0.69 ADRA2A (0.46) ADRA2AADRA1A
SCHEMBL7098664 0.66 BRD4 (0.43) KDM4EHPGDHSD17B10KEAP1NFE2L2
SCHEMBL7098751 0.65 ADRA2A (0.44) ADRA2AADRA1A
SCHEMBL1949655 0.65 KDM1A (0.48) NR3C1KEAP1
SCHEMBL7100952 0.65 KMO (0.31)
SCHEMBL7097707 0.63 ADRA2A (0.45) ADRA2AADRA1A
SCHEMBL7097621 0.63 ADRA1A (0.45) 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 disclosed
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 US 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 ADRA2A 8/4885ADRA1A 3/4885KDM4E 823/4885

“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.