SCHEMBL7098540

SCHEMBL7098540

CS(=O)(=O)Nc1ccc(Cl)c2c1CCCC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.40
BRDT Q58F21 2/20 0.37
CREBBP Q92793 2/20 0.37
CECR2 Q9BXF3 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
BRD7 Q9NPI1 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
BRD2 P25440 1/20 0.36
SMARCA2 P51531 1/20 0.36
BRD3 Q15059 1/20 0.36
BRWD1 Q9NSI6 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRA1A P35348 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ADRA2A P08913 1/20 0.34

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
SCHEMBL7102388 0.86 PTGES2 (0.38) BRD4BRDTBRD9BRD7HPGD
SCHEMBL7098664 0.85 BRD4 (0.43) BRD4BRDTCREBBPPTGS2BRD2
SCHEMBL7102610 0.73 KEAP1 (0.47) PTGS2KDM4EHPGDHSD17B10ADRA1A
SCHEMBL18992169 0.70 KDM4E (0.48) PTGS2KDM4EHPGDHSD17B10KEAP1
SCHEMBL31104321 0.69 BRD4 (0.40) BRD4BRDTCREBBPCECR2BRD9
SCHEMBL2370165 0.69 KDM4E (0.45) BRD4BRDTCREBBPCECR2BRD9
SCHEMBL6686475 0.69 BRD4 (0.42) BRD4BRDTCREBBPCECR2BRD9
SCHEMBL7103532 0.69 BRD4 (0.43) BRD4BRDTCREBBPCECR2BRD9
SCHEMBL7410003 0.69 ALDH1A1 (0.59) BRD4KDM4EHPGDADRA1A
SCHEMBL7653318 0.68 BAZ2B (0.40) BRD4CECR2KDM4EHPGDHSD17B10

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 6 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-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 BRD4 26/4885BRDT 25/4885CREBBP 203/4885

“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.