SCHEMBL2116513

SCHEMBL2116513

CCOC(=O)C1CCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 8/20 1.00
KDM4E B2RXH2 5/20 1.00
TDP1 Q9NUW8 4/20 1.00
ALDH1A1 P00352 4/20 1.00
HPGD P15428 4/20 1.00
CASP1 P29466 3/20 1.00
HSD17B10 Q99714 3/20 1.00
MEN1 O00255 2/20 1.00
POLB P06746 2/20 1.00
MAPT P10636 2/20 1.00
THRB P10828 2/20 1.00
ALOX15 P16050 2/20 1.00
MAPK1 P28482 2/20 1.00
BRCA1 P38398 2/20 1.00
RECQL P46063 2/20 1.00
BLM P54132 2/20 1.00
CASP7 P55210 2/20 1.00
KMT2A Q03164 2/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
MCL1 Q07820 1/20 1.00

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
SCHEMBL9613308 0.81 TDP1 (1.00) PTPN7KDM4ETDP1ALDH1A1HPGD
SCHEMBL13856682 0.81 PTPN7 (1.00) PTPN7KDM4ETDP1ALDH1A1HPGD
SCHEMBL9613352 0.80 PTPN7 (0.73) PTPN7KDM4ETDP1ALDH1A1HPGD
SCHEMBL9613368 0.80 PTPN7 (1.00) PTPN7KDM4ETDP1ALDH1A1HPGD
SCHEMBL12501671 0.80 PTPN7 (0.71) PTPN7KDM4ETDP1ALDH1A1HPGD
SCHEMBL28363727 0.77 TDP1 (0.83) KDM4ETDP1ALDH1A1HPGDCASP1
SCHEMBL28363606 0.74 TDP1 (0.78) KDM4ETDP1ALDH1A1HPGDCASP1
SCHEMBL27444504 0.74 KDM4E (0.77) KDM4ETDP1ALDH1A1HPGDCASP1
SCHEMBL14413287 0.73 TDP1 (0.76) KDM4ETDP1ALDH1A1HPGDCASP1
SCHEMBL9613359 0.72 PTPN7 (0.77) PTPN7KDM4ETDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US claimed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 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-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same MCL1, AS3MT, MYADM PTPN7 1828/4885KDM4E 3465/4885TDP1 1293/4885
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM PTPN7 1828/4885KDM4E 3465/4885TDP1 1293/4885

“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.