SCHEMBL7100452

SCHEMBL7100452

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACP3 P15309 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
OPRK1 P41145 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
3-Nitrobenzaldehyde SCHEMBL7590570 0.92 KMT2A (0.39) KMT2AMEN1HPGDL3MBTL1ALDH1A1
SCHEMBL31040273 0.86 CA12 (0.42) KMT2AMEN1HPGDL3MBTL1ALDH1A1
SCHEMBL7166942 0.82 MEN1 (0.38) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL7102030 0.81 ALDH1A1 (0.35) KMT2AL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL7100834 0.75 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL31040271 0.74 HTT (0.36) ALDH1A1HTT
SCHEMBL7100881 0.74 ALDH1A1 (0.41) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL7098632 0.74 CA1 (0.32) HTT
SCHEMBL7101212 0.73 PTPRC (0.44) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7667658 0.70 ALDH1A1 (0.48) L3MBTL1ALDH1A1MAPTSMN1; SMN2RAB9A

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 KMT2A 1672/4885MEN1 3832/4885HPGD 2765/4885

“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.