SCHEMBL7097291

SCHEMBL7097291

CN(C)S(=O)(=O)n1cnc(C2=CCSc3c2cccc3[N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
S100A4 P26447 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL7101733 0.69 ALDH1A1 (0.31) MAPTALDH1A1POLBMAPK1
SCHEMBL7667658 0.67 ALDH1A1 (0.48) MAPTALDH1A1POLBLMNAGAA
SCHEMBL7101713 0.67 SMN1; SMN2 (0.33) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7097377 0.65 TDP1 (0.39) MAPTALDH1A1SMN1; SMN2
SCHEMBL7098074 0.65 ESRRA (0.34) MAPTALDH1A1MAPK1LMNAGAA
SCHEMBL7103291 0.64 TDP1 (0.38) MAPTALDH1A1POLBMAPK1LMNA
SCHEMBL2184244 0.64 TSHR (0.54) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7103262 0.63 SMN1; SMN2 (0.34) MAPTALDH1A1POLBLMNAGAA
SCHEMBL7101641 0.61 MEN1 (0.39) MAPTALDH1A1POLBGAASMN1; SMN2
SCHEMBL7100834 0.61 ALDH1A1 (0.45) MAPTALDH1A1MAPK1LMNASMN1; SMN2

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 MAPT 4075/4885ALDH1A1 263/4885POLB 4410/4885

“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.