SCHEMBL7102328

SCHEMBL7102328

CN(C)S(=O)(=O)n1cnc(Cc2cc([N+](=O)[O-])ccc2F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.37
ALDH1A1 P00352 6/20 0.36
CYP3A4 P08684 2/20 0.36
PDE2A O00408 1/20 0.36
PDE5A O76074 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
APEX1 P27695 1/20 0.36
PDE4A P27815 1/20 0.36
BLM P54132 1/20 0.36
PDE1B Q01064 1/20 0.36
PMP22 Q01453 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE7B Q9NP56 1/20 0.36
MAPT P10636 2/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 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
SCHEMBL7100200 0.83 FGFR1 (0.33)
SCHEMBL7102030 0.78 ALDH1A1 (0.35) CYP19A1ALDH1A1CYP3A4PDE2APDE5A
SCHEMBL7103392 0.77 NOS3 (0.34) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7100988 0.74 CYP1A2 (0.32) ALDH1A1MAPTCYP1A2
SCHEMBL7667658 0.73 ALDH1A1 (0.48) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL4532764 0.69 ALDH1A1 (0.53) CYP19A1ALDH1A1CYP3A4PDE2APDE5A
SCHEMBL31040273 0.69 CA12 (0.42) CYP19A1ALDH1A1CYP3A4PDE2APDE5A
SCHEMBL7100452 0.68 KMT2A (0.44) ALDH1A1CYP3A4MAPTLMNASMN1; SMN2
SCHEMBL12955135 0.67 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPTHIF1ALMNA
SCHEMBL2012102 0.67 ALDH1A1 (0.50) CYP19A1ALDH1A1APEX1MAPTHIF1A

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 CYP19A1 2171/4885ALDH1A1 263/4885CYP3A4 720/4885

“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.