SCHEMBL6571973

SCHEMBL6571973

CCOC(=O)CN(c1ccc(C)c([N+](=O)[O-])c1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NR1D1 P20393 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HCRTR2 O43614 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
OXTR P30559 1/20 0.40

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
SCHEMBL6574348 0.86 MMP1 (0.52) MAPTALDH1A1NR1D1KEAP1NFE2L2
SCHEMBL6571953 0.84 KEAP1 (0.45) MAPTNR1D1KEAP1NFE2L2HCRTR2
SCHEMBL6573645 0.80 KEAP1 (0.48) MAPTALDH1A1NR1D1KEAP1NFE2L2
SCHEMBL6767214 0.77 KEAP1 (0.46) MAPTALDH1A1NR1D1KEAP1NFE2L2
SCHEMBL22234387 0.77 KEAP1 (0.69) ALDH1A1NR1D1KEAP1NFE2L2OXTR
SCHEMBL6570643 0.73 F2 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL5461521 0.71 PKM (0.61) MAPTALDH1A1HCRTR2MEN1KMT2A
SCHEMBL7422328 0.69 KMT2A (0.64) MAPTALDH1A1KEAP1NFE2L2MEN1
SCHEMBL6574331 0.69 F2 (0.42) KEAP1NFE2L2HCRTR2OXTR
SCHEMBL6571764 0.69 HCRTR2 (0.43) KEAP1NFE2L2HCRTR2OXTR

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 MAPT 449/4885ALDH1A1 669/4885NR1D1 533/4885

“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.