SCHEMBL7097377

SCHEMBL7097377

Cc1c(Cc2cn(S(=O)(=O)N(C)C)cn2)cccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.37
ENPP1 P22413 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CMA1 P23946 2/20 0.33
KDM4E B2RXH2 1/20 0.32
PAX8 Q06710 1/20 0.32
OPRK1 P41145 2/20 0.32
SLC29A1 Q99808 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7103262 0.86 SMN1; SMN2 (0.34) TDP1SMN1; SMN2ENPP1MAPTALDH1A1
SCHEMBL7101214 0.84 GPR35 (0.32) SMN1; SMN2MAPTALDH1A1
SCHEMBL7100988 0.83 CYP1A2 (0.32) MAPTALDH1A1
SCHEMBL7172007 0.81 KDM4E (0.32) SMN1; SMN2TSHRKDM4E
SCHEMBL7101641 0.78 MEN1 (0.39) TDP1SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL7103392 0.77 NOS3 (0.34) SMN1; SMN2MAPTALDH1A1PKM
SCHEMBL7103291 0.76 TDP1 (0.38) TDP1SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL7102328 0.76 CYP19A1 (0.37) SMN1; SMN2MAPTALDH1A1
SCHEMBL7510881 0.72 FGFR1 (0.35) SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL22075719 0.72 MEN1 (0.41) SMN1; SMN2TSHRMAPTALDH1A1KDM4E

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 TDP1 2857/4885SMN1; SMN2 639/4885TSHR 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.