SCHEMBL2113647

SCHEMBL2113647

c1ccc(CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 1.00
MAPT P10636 11/20 1.00
MEN1 O00255 11/20 1.00
KMT2A Q03164 11/20 1.00
POLB P06746 10/20 1.00
KDM4E B2RXH2 9/20 1.00
HPGD P15428 8/20 1.00
MCL1 Q07820 8/20 1.00
BLM P54132 7/20 1.00
L3MBTL1 Q9Y468 7/20 1.00
RECQL P46063 6/20 1.00
NR4A1 P22736 5/20 1.00
THRB P10828 4/20 1.00
USP2 O75604 4/20 1.00
PTPN7 P35236 3/20 1.00
DUSP3 P51452 3/20 1.00
HTT P42858 3/20 1.00
ALOX15 P16050 2/20 1.00
NPSR1 Q6W5P4 2/20 1.00
HSD17B10 Q99714 2/20 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
SCHEMBL6722302 0.79 MCL1 (0.77) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL20919142 0.78 MEN1 (0.72) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL30518187 0.78 MEN1 (0.72) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL24277667 0.78 MCL1 (1.00) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6262114 0.75 MEN1 (0.71) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6262120 0.75 MEN1 (1.00) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL31582586 0.75 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL13856422 0.75 MEN1 (1.00) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL8290697 0.73 HPGD (0.64) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL20919662 0.73 MEN1 (0.57) ALDH1A1MAPTMEN1KMT2APOLB

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 9 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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 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 (3 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 ALDH1A1 210/4885MAPT 4723/4885MEN1 1901/4885
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD ALDH1A1 3724/4885MAPT 3866/4885MEN1 4323/4885
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM ALDH1A1 210/4885MAPT 4723/4885MEN1 1901/4885

“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.