SCHEMBL7101212

SCHEMBL7101212

CN(C)S(=O)(=O)n1cnc(C(C)(O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.44
MET P08581 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 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
SCHEMBL7828301 0.92 ALDH1A1 (0.47) PTPRCMAPTSMN1; SMN2KMT2AHTT
SCHEMBL7100834 0.74 ALDH1A1 (0.45) MAPTSMN1; SMN2KMT2AHTTF2
SCHEMBL7100881 0.73 ALDH1A1 (0.41) MAPTKMT2AHTTGAAF2
SCHEMBL7100452 0.73 KMT2A (0.44) MAPTSMN1; SMN2KMT2AHTTGAA
SCHEMBL7667658 0.69 ALDH1A1 (0.48) METMAPTSMN1; SMN2HTTGAA
SCHEMBL7100873 0.69 MAPT (0.39) MAPTKMT2AHTTGAAF2
SCHEMBL7100869 0.69 MAPT (0.39) MAPTKMT2AHTTGAAF2
SCHEMBL17687431 0.69 PTPRC (0.63) PTPRCMAPTSMN1; SMN2KMT2ANFE2L2
SCHEMBL13208612 0.69 HTT (0.42) MAPTSMN1; SMN2KMT2AHTTGAA
3-Nitrobenzaldehyde SCHEMBL7590570 0.68 KMT2A (0.39) MAPTSMN1; SMN2KMT2AHTTNFE2L2

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 2 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

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 PTPRC 4844/4885MET 4302/4885MAPT 4075/4885

“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.