SCHEMBL5482259

SCHEMBL5482259

Cc1c(Cl)c([N+](=O)[O-])cc2c1NC(=O)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.47
DNMT1 P26358 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
CAPN9 O14815 1/20 0.39
CASP3 P42574 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GPR35 Q9HC97 1/20 0.37
CYP3A4 P08684 3/20 0.36
DAO P14920 2/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 2/20 0.36
NSD2 O96028 1/20 0.36
BCHE P06276 1/20 0.36
TGM2 P21980 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TXNRD1 Q16881 1/20 0.36

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
SCHEMBL24690819 0.77 CES1 (0.61) CES1DNMT1ALDH1A1ALDH2ALDH3A1
SCHEMBL505131 0.76 ALDH1A1 (0.56) CES1DNMT1ALDH1A1ALDH2ALDH3A1
SCHEMBL505299 0.76 CES1 (0.59) CES1DNMT1ALDH1A1CAPN9CASP3
SCHEMBL2098784 0.72 GPR35 (0.57) ALDH1A1GPR35CYP3A4TSHRHIF1A
SCHEMBL8872178 0.72 TSHR (0.52) CES1DNMT1ALDH1A1ALDH2ALDH3A1
SCHEMBL9016208 0.71 CAPN9 (0.54) CES1DNMT1ALDH1A1CAPN9CASP3
SCHEMBL505202 0.70 S100A4 (0.49) CES1DNMT1ALDH1A1ALDH2ALDH3A1
SCHEMBL8006090 0.70 CES1 (0.59) CES1DNMT1ALDH1A1ALDH2ALDH3A1
SCHEMBL8872707 0.70 CES1 (0.62) CES1DNMT1ALDH1A1CAPN9CASP3
SCHEMBL504966 0.70 TGM2 (0.59) CES1DNMT1ALDH1A1ALDH2ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299102-A1 Diphenyl Ox-Indol-2-One Compounds and Their Use in the Treatment of Cancer TOPO TARGET A/S (DK) 2007-12-27 US disclosed
US-20070299102-A1 Diphenyl Ox-Indol-2-One Compounds and Their Use in the Treatment of Cancer TOPO TARGET A/S (DK) 2007-12-27 US disclosed
US-20070299102-A1 Diphenyl Ox-Indol-2-One Compounds and Their Use in the Treatment of Cancer TOPO TARGET A/S (DK) 2007-12-27 US disclosed
EP-1734951-A2 DIPHENYL-INDOL-2-ON COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER TopoTarget A/S (DK) 2006-12-27 EP disclosed
WO-2005097107-A2 DIPHENYL - INDOL-2-ON COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER TOPOTARGET A/S (DK) 2005-10-20 WO disclosed
WO-2005097107-A2 DIPHENYL - INDOL-2-ON COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER TOPOTARGET A/S (DK) 2005-10-20 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-20070299102-A1 Diphenyl Ox-Indol-2-One Compounds and Their Use in the Treatment of Cancer MTOR, RICTOR, CDK4 CES1 4132/4885DNMT1 2465/4885ALDH1A1 2650/4885

“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.