SCHEMBL5457569

SCHEMBL5457569

CCOC(=O)c1ccc(Nc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.66
RECQL P46063 1/20 0.66
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
CA2 P00918 4/20 0.60
CA1 P00915 3/20 0.60
NHERF1 O14745 1/20 0.59
GAA P10253 1/20 0.58
CA9 Q16790 4/20 0.56
MAPT P10636 4/20 0.56
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
THRB P10828 2/20 0.56
RAB9A P51151 1/20 0.56
SLC2A1 P11166 1/20 0.56
CA12 O43570 2/20 0.53
KDM4E B2RXH2 2/20 0.53

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
SCHEMBL63779 0.91 KMT2A (0.64) HPGDRECQLKMT2AMEN1CA2
SCHEMBL12124929 0.87 RAB9A (0.69) HPGDRECQLKMT2AMEN1CA2
SCHEMBL28791529 0.87 KMT2A (0.80) HPGDRECQLKMT2AMEN1CA2
SCHEMBL18016057 0.86 KMT2A (0.59) HPGDRECQLKMT2AMEN1CA2
SCHEMBL9644563 0.82 RAB9A (0.63) HPGDRECQLKMT2AMEN1CA2
SCHEMBL9176722 0.81 SMN1; SMN2 (0.72) HPGDRECQLKMT2AMEN1GAA
SCHEMBL8266243 0.80 NHERF1 (0.68) HPGDRECQLKMT2AMEN1CA2
SCHEMBL4753529 0.80 HPGD (1.00) HPGDRECQLKMT2AMEN1CA2
SCHEMBL9417503 0.79 KMT2A (0.66) HPGDRECQLKMT2AMEN1CA2
SCHEMBL5412265 0.78 MAPT (0.67) HPGDRECQLKMT2AMEN1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US claimed
EP-1687253-A2 DIPHENYLAMINE DERIVATIVES Merk Patent Gmbh (DE) 2006-08-09 EP claimed
WO-2005051888-A2 DIPHENYLAMINE DERIVATIVES MERK PATENT GMBH (DE) 2005-06-09 WO claimed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 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 (2 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-20070123586-A1 Nitroso derivatives of diphenylamine NOS3, CBR3, CBR1 HPGD 503/4885RECQL 3144/4885KMT2A 2322/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA HPGD 3636/4885RECQL 3208/4885KMT2A 3012/4885

“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.