SCHEMBL571879

SCHEMBL571879

O=C(Cl)C(=O)c1c[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNA2 P51530 1/20 0.63
CASP6 P55212 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
CLK1 P49759 2/20 0.43
DYRK1A Q13627 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
PARP1 P09874 1/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FBP1 P09467 4/20 0.42
GUSB P08236 1/20 0.40
ALDH1A1 P00352 4/20 0.40
BRPF1 P55201 1/20 0.40
APEX1 P27695 1/20 0.40
LMNA P02545 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
SCHEMBL1277854 0.85 DNA2 (0.83) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL3066032 0.82 DNA2 (0.66) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL6215533 0.79 DNA2 (0.61) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL23538255 0.77 CLK1 (0.46) DNA2CASP6CTDSP1CLK1TDP1
SCHEMBL4334739 0.77 DNA2 (1.00) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL23198582 0.76 DNA2 (0.52) DNA2CASP6CTDSP1MAPTALDH1A1
SCHEMBL6537720 0.76 DNA2 (0.78) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL14631629 0.76 DYRK1A (0.45) CLK1DYRK1AGSK3BCDK5CDK5R1
SCHEMBL5897373 0.76 CLEC4M (0.57) DNA2CASP6CTDSP1MAPTMAPK1
SCHEMBL1017079 0.75 DNA2 (0.56) DNA2CASP6CTDSP1CLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601174-B1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
EP-2601174-B1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
EP-2601174-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2013-06-12 EP disclosed
US-8450361-B2 Substituted indole and azaindole oxoacetyl piperazinamide derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-28 US disclosed
US-8450361-B2 Substituted indole and azaindole oxoacetyl piperazinamide derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-28 US disclosed
US-8450361-B2 Substituted indole and azaindole oxoacetyl piperazinamide derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-28 US disclosed
US-20120202775-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-20120202775-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-20120202775-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
WO-2012019003-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed
WO-2012019003-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 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-20120202775-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES IDO1, IDO2, INMT DNA2 1188/4885CASP6 2572/4885CTDSP1 653/4885

“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.