SCHEMBL7098722

SCHEMBL7098722

Cc1ccc2c(c1[N+](=O)[O-])CCCC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TSHR P16473 4/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL5188322 0.83 MAPT (0.53) ALDH1A1CYP3A4TDP1MAPTGAA
SCHEMBL10749450 0.82 TDP1 (0.39) ALDH1A1TSHRCYP3A4TDP1MAPT
SCHEMBL25230927 0.82 GRIN2D (0.35) ALDH1A1TSHRCYP3A4MAPTNPC1
SCHEMBL6300272 0.82 MAOA (0.40) TSHRCYP3A4MAPTCYP1A2CYP2C9
SCHEMBL4657911 0.81 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4TDP1MAPT
SCHEMBL6112969 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPTNPC1
SCHEMBL10748451 0.77 BAZ2B (0.46) ALDH1A1CYP3A4MAPTNPC1GAA
SCHEMBL4659343 0.77 LTB4R (0.36) ALDH1A1CYP3A4TDP1MAPTCYP1A2
SCHEMBL23106195 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1MAPTNPC1
SCHEMBL2491435 0.75 GRIN2D (0.38) ALDH1A1TSHRCYP3A4TDP1MAPT

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 3 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
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

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 ALDH1A1 263/4885TSHR 155/4885CYP3A4 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.