SCHEMBL6574348

SCHEMBL6574348

CCOC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
NR1D1 P20393 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
OXTR P30559 1/20 0.44
HCRTR2 O43614 3/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
S1PR4 O95977 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6571973 0.86 MAPT (0.44) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6573645 0.85 KEAP1 (0.48) MAPTALDH1A1NR1D1KEAP1NFE2L2
SCHEMBL7422328 0.83 KMT2A (0.64) KMT2AMAPTALDH1A1MEN1KEAP1
SCHEMBL6767214 0.82 KEAP1 (0.46) KMT2AMAPTALDH1A1MEN1NR1D1
SCHEMBL22234387 0.80 KEAP1 (0.69) ALDH1A1NR1D1KEAP1NFE2L2OXTR
SCHEMBL6571953 0.80 KEAP1 (0.45) MAPTNR1D1KEAP1NFE2L2OXTR
SCHEMBL5624112 0.79 ALDH1A1 (0.51) KMT2AMAPTALDH1A1MEN1MAPK1
SCHEMBL5461521 0.78 PKM (0.61) KMT2AMAPTALDH1A1MEN1HCRTR2
SCHEMBL3461871 0.75 HCRTR2 (0.50) KMT2AMAPTALDH1A1MEN1HCRTR2
SCHEMBL6574331 0.73 F2 (0.42) KEAP1NFE2L2OXTRHCRTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 US disclosed
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 WO 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 MMP1 2935/4885MMP2 3616/4885MMP9 2393/4885

“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.