SCHEMBL7102085

SCHEMBL7102085

Cc1ccc2c(c1[N+](=O)[O-])CCC=C2c1cn(S(=O)(=O)N(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 1/20 0.31
PDE2A O00408 1/20 0.31
PDE5A O76074 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
APEX1 P27695 1/20 0.31
PDE4A P27815 1/20 0.31
BLM P54132 1/20 0.31
PDE1B Q01064 1/20 0.31
PMP22 Q01453 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE7B Q9NP56 1/20 0.31

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
SCHEMBL7097291 0.69 MAPT (0.35) ALDH1A1
SCHEMBL7667658 0.67 ALDH1A1 (0.48) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL7101641 0.63 MEN1 (0.39) ALDH1A1CYP3A4TSHRPDE2APDE5A
SCHEMBL7166942 0.61 MEN1 (0.38) ALDH1A1CYP3A4TSHRPDE2APDE5A
SCHEMBL9876018 0.61 ALPL (0.41) ALDH1A1CYP3A4
SCHEMBL7142509 0.60 CYP1A2 (0.37) CYP3A4
SCHEMBL7102993 0.60 MEN1 (0.37) CYP3A4
SCHEMBL17728627 0.59 HTT (0.35)
SCHEMBL22227948 0.59 QDPR (0.36)
SCHEMBL2591258 0.59 GAA (0.49) ALDH1A1TSHR

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 1 patent. 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

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 263/4885CYP3A4 720/4885TSHR 155/4885

“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.