SCHEMBL9613308

SCHEMBL9613308

O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 1.00
PPIA P62937 2/20 1.00
PPID Q08752 2/20 1.00
HSPD1 P10809 2/20 1.00
HSPE1 P61604 2/20 1.00
PTPN7 P35236 9/20 0.98
MEN1 O00255 3/20 0.98
POLB P06746 3/20 0.98
HPGD P15428 3/20 0.98
BLM P54132 3/20 0.98
KMT2A Q03164 3/20 0.98
L3MBTL1 Q9Y468 3/20 0.98
KDM4D Q6B0I6 3/20 0.98
KDM4E B2RXH2 2/20 0.98
ALDH1A1 P00352 2/20 0.98
MAPT P10636 2/20 0.98
THRB P10828 2/20 0.98
ALOX15 P16050 2/20 0.98
MAPK1 P28482 2/20 0.98
CASP1 P29466 2/20 0.98

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
SCHEMBL13856682 0.99 PTPN7 (1.00) TDP1PPIAPPIDHSPD1HSPE1
SCHEMBL9613368 0.91 PTPN7 (1.00) TDP1PPIAPPIDHSPD1HSPE1
SCHEMBL5997551 0.86 KDM4D (0.98) TDP1PPIAPPIDHSPD1HSPE1
SCHEMBL5992705 0.85 KDM4D (1.00) TDP1PPIAPPIDHSPD1HSPE1
SCHEMBL9613352 0.83 PTPN7 (0.73) TDP1PPIAPPIDHSPD1HSPE1
SCHEMBL2116513 0.81 PTPN7 (1.00) TDP1PPIAPPIDHSPD1HSPE1
SCHEMBL9613309 0.81 TDP1 (0.67) TDP1PPIAPPIDHSPD1HSPE1
SCHEMBL9613359 0.80 PTPN7 (0.77) TDP1PPIAPPIDHSPD1HSPE1
SCHEMBL6238251 0.78 PTPN7 (1.00) TDP1PPIAPPIDHSPD1HSPE1
SCHEMBL9613399 0.77 TDP1 (0.62) TDP1PPIAPPIDHSPD1HSPE1

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
US-10179161-B2 Compositions and methods for enhancing cardiac function in the neonate THE UNIVERSITY OF ROCHESTER (US) 2019-01-15 US claimed
US-10179161-B2 Compositions and methods for enhancing cardiac function in the neonate THE UNIVERSITY OF ROCHESTER (US) 2019-01-15 US disclosed
US-9833467-B2 Use of cyclophilin D inhibitors to treat or prevent bone disorders UNIVERSITY OF ROCHESTER (US) 2017-12-05 US disclosed
US-20170239322-A1 COMPOSITIONS AND METHODS FOR ENHANCING CARDIAC FUNCTION IN THE NEONATE UNIV ROCHESTER (US) 2017-08-24 US disclosed
US-9353094-B2 Substituted quinoxalines as kinase inhibitors BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2016-05-31 US disclosed
US-20150320828-A1 USE OF CYCLOPHILIN D INHIBITORS TO TREAT OR PREVENT BONE DISORDERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-11-12 US disclosed
US-20150274709-A1 QUINOXALINE COMPOUNDS AND USES THEREOF THE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2015-10-01 US disclosed
US-8993758-B2 Substituted quinoxalines and uses thereof BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2015-03-31 US disclosed
US-20140050728-A1 METHODS AND COMPOSITIONS FOR INHIBITING CYCLOPHILIN D FOR THE TREATMENT AND PREVENTION OF OBESITY AND KIDNEY INDICATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2014-02-20 US disclosed
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2013-10-31 US disclosed
WO-2012071414-A2 QUINOXALINE COMPOUNDS AND USES THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-05-31 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 (6 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-10179161-B2 Compositions and methods for enhancing cardiac function in the neonate TNNI3, TNNT2, TNNC1 TDP1 3476/4885PPIA 1998/4885PPID 2040/4885
US-20170239322-A1 COMPOSITIONS AND METHODS FOR ENHANCING CARDIAC FUNCTION IN THE NEONATE TNNI3, TNNT2, TNNC1 TDP1 3476/4885PPIA 1998/4885PPID 2040/4885
US-20150274709-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR TDP1 3381/4885PPIA 1747/4885PPID 2029/4885
US-20140050728-A1 METHODS AND COMPOSITIONS FOR INHIBITING CYCLOPHILIN D FOR THE TREATMENT AND PREVENTION OF OBESITY AND KIDNEY INDICATIONS PPIG, FKBP1B, PPIH TDP1 4191/4885PPIA 27/4885PPID 8/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR TDP1 3381/4885PPIA 1747/4885PPID 2029/4885
US-20150320828-A1 USE OF CYCLOPHILIN D INHIBITORS TO TREAT OR PREVENT BONE DISORDERS PPID, PPIH, FKBP1A TDP1 1319/4885PPIA 22/4885PPID 1/4885

“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.