SCHEMBL7101648

SCHEMBL7101648

O=C1CCSc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
RECQL P46063 2/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
S100A4 P26447 2/20 0.47
ACHE P22303 1/20 0.44
PTPRC P08575 1/20 0.44
TDP1 Q9NUW8 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
GPR35 Q9HC97 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
APEX1 P27695 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL8441030 0.85 MAPT (0.51) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL166701 0.75 MAPT (0.56) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL35211484 0.75 MAPT (0.56) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL6924 0.74 NOTUM (0.39) MAPTKMT2AS100A4ALDH1A1CA1
SCHEMBL5635241 0.74 MEN1 (0.47) MAPTKMT2AS100A4ACHEALDH1A1
SCHEMBL10464 0.74 MAPT (0.46) MAPTRECQLKMT2AS100A4ALDH1A1
SCHEMBL8597074 0.74 MAPT (0.74) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL7502 0.74 PARP10 (0.39) MAPTKMT2AS100A4TDP1ALDH1A1
SCHEMBL4573599 0.72 MAPT (0.53) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL768880 0.72 MAPT (0.53) MAPTRECQLKMT2AMCL1RXFP1

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 MAPT 4075/4885RECQL 4454/4885KMT2A 1672/4885

“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.