SCHEMBL7098652

SCHEMBL7098652

COc1ccc2c(c1[N+](=O)[O-])CCC=C2c1cn(S(=O)(=O)N(C)C)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.33
MAPT P10636 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 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
SCHEMBL7102085 0.89 ALDH1A1 (0.31) CYP3A4
SCHEMBL7102908 0.83 MEN1 (0.36) CYP1A2MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL7103698 0.81 ALDH1A1 (0.39) CYP1A2MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL7149878 0.79 ALDH1A1 (0.37) CYP1A2MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL7102993 0.74 MEN1 (0.37) CYP1A2MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL7142509 0.72 CYP1A2 (0.37) CYP1A2MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL7102160 0.71 HTR1A (0.36) CYP1A2MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL7165797 0.69 MAPT (0.35) CYP1A2MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL6113057 0.66 CYP1A2 (0.43) CYP1A2MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL7667658 0.66 ALDH1A1 (0.48) CYP1A2MAPTCYP2C19CYP3A4CYP2C9

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 CYP1A2 587/4885MAPT 4075/4885CYP2C19 1415/4885

“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.