SCHEMBL6738009

SCHEMBL6738009

O=NN(c1ccccc1)c1ccc(NS(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 1/20 0.53
ALDH1A1 P00352 3/20 0.51
SNCA P37840 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.45
PKM P14618 1/20 0.45
CYP17A1 P05093 1/20 0.45
NAMPT P43490 2/20 0.44
IL1RN P18510 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
PKLR P30613 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAP2K7 O14733 1/20 0.43
MAP2K4 P45985 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43

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
SCHEMBL6741834 0.86 KMT2A (0.61) KEAP1ALDH1A1KMT2AMEN1PKM
SCHEMBL784141 0.82 KEAP1 (0.66) KEAP1NFE2L2ALDH1A1SNCATDP1
SCHEMBL7856929 0.80 KEAP1 (0.63) KEAP1NFE2L2ALDH1A1SNCATDP1
SCHEMBL2565637 0.76 KEAP1 (0.64) KEAP1NFE2L2ALDH1A1SNCAKMT2A
SCHEMBL11102014 0.75 ALDH1A1 (0.65) ALDH1A1PKMALOX15MAPTHPGD
SCHEMBL5015931 0.75 KEAP1 (0.68) KEAP1NFE2L2ALDH1A1SNCAKMT2A
SCHEMBL30676966 0.75 KEAP1 (0.65) KEAP1NFE2L2ALDH1A1SNCAKMT2A
SCHEMBL29118864 0.75 KEAP1 (0.65) KEAP1NFE2L2ALDH1A1SNCAKMT2A
SCHEMBL5330736 0.74 ALDH1A1 (0.64) KEAP1NFE2L2ALDH1A1SNCATDP1
SCHEMBL1094118 0.73 MEN1 (0.73) KEAP1ALDH1A1TDP1KMT2AMEN1

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-20040063783-A1 Nitroso diphenylamine derivatives MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
EP-1322598-A1 NITROSO DIPHENYLAMINE DERIVATIVES MERCK PATENT GmbH (DE) 2003-07-02 EP disclosed
WO-2002028820-A1 NITROSO DIPHENYLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2002-04-11 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-20040063783-A1 Nitroso diphenylamine derivatives NQO2, SULT1A1, NAT1 KEAP1 1607/4885NFE2L2 90/4885ALDH1A1 167/4885

“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.