SCHEMBL7100873

SCHEMBL7100873

COC=C(c1cccc([N+](=O)[O-])c1)c1cn(S(=O)(=O)N(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
ALDH1A1 P00352 6/20 0.39
HTT P42858 4/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 3/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 2/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL7100864 1.00 MAPT (0.39) MAPTALDH1A1HTTRAB9ALMNA
SCHEMBL7097292 0.84 ESRRA (0.30)
SCHEMBL7097295 0.84 ESRRA (0.30)
SCHEMBL7097293 0.84 ESRRA (0.30)
SCHEMBL7100834 0.83 ALDH1A1 (0.45) MAPTALDH1A1HTTRAB9ALMNA
SCHEMBL7100881 0.83 ALDH1A1 (0.41) MAPTALDH1A1HTTRAB9ACES2
SCHEMBL7102973 0.79 ALDH1A1 (0.36) ALDH1A1HTTRAB9ALMNANPC1
SCHEMBL7102969 0.79 ALDH1A1 (0.36) ALDH1A1HTTRAB9ALMNANPC1
SCHEMBL7100452 0.70 KMT2A (0.44) MAPTALDH1A1HTTRAB9ALMNA
SCHEMBL7101212 0.69 PTPRC (0.44) MAPTALDH1A1HTTLMNAGAA

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 MAPT 4075/4885ALDH1A1 263/4885HTT 4621/4885

“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.