Sugi Predict

Sugi Predict / Compounds / SCHEMBL4372575

SCHEMBL4372575

SCHEMBL4372575

COC(=O)CC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 3/20 0.63
▸ FEN1 P39748 3/20 0.63
▸ ALDH1A1 P00352 2/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ MAPT P10636 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ TSHR P16473 1/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ POLB P06746 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ RAB9A P51151 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL28292427 0.86 ERCC5 (0.63) ERCC5FEN1ALDH1A1MAPK1HIF1A
SCHEMBL953973 0.85 TDP1 (0.62) ERCC5FEN1ALDH1A1MAPK1HIF1A
SCHEMBL14443210 0.85 MAPT (0.62) ERCC5FEN1ALDH1A1MAPK1HIF1A
SCHEMBL29364863 0.85 TDP1 (0.62) ERCC5FEN1ALDH1A1MAPK1HIF1A
SCHEMBL9264240 0.83 ABL1 (0.45) ERCC5FEN1ALDH1A1MAPK1HIF1A
SCHEMBL13516377 0.83 FLT1 (0.52) ERCC5FEN1ALDH1A1MAPTABL1
SCHEMBL8492279 0.82 ERCC5 (0.67) ERCC5FEN1ALDH1A1MAPK1HIF1A
SCHEMBL6504999 0.81 ERCC5 (0.56) ERCC5FEN1ALDH1A1MAPK1HIF1A
SCHEMBL31114507 0.81 ALDH1A1 (0.62) ERCC5FEN1ALDH1A1MAPK1HIF1A
SCHEMBL8154620 0.80 ERCC5 (0.74) ERCC5FEN1ALDH1A1MAPK1HIF1A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192893-B2 Pyrazoloquinazolinone antitumor agents THE ROCKEFELLER UNIVERSITY (US) 2021-12-07 — — US disclosed
US-11192893-B2 Pyrazoloquinazolinone antitumor agents THE ROCKEFELLER UNIVERSITY (US) 2021-12-07 — — US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
US-20200148687-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS THE ROCKEFELLER UNIVERSITY (US) 2020-05-14 — — US disclosed
US-20200148687-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS THE ROCKEFELLER UNIVERSITY (US) 2020-05-14 — — US disclosed
EP-3624805-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS Kapoor, Tarun, M. (US) 2020-03-25 — — EP disclosed
EP-3148972-B1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2019-08-21 — — EP disclosed
WO-2018213712-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS KAPOOR TARUN M (US) 2018-11-22 — — WO disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 — — WO disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 — — US disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — WO disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 — — WO disclosed
US-6897322-B2 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-1H-pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2005-05-24 — — US disclosed
US-20040059128-A1 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-ih-pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2004-03-25 — — 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 (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-20200148687-A1 PYRAZOLOQUINAZOLINONE ANTITUMOR AGENTS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 ERCC5 168/4885FEN1 3359/4885ALDH1A1 317/4885
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 ERCC5 3055/4885FEN1 2866/4885ALDH1A1 1883/4885
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ERCC5 3479/4885FEN1 2891/4885ALDH1A1 3714/4885
US-20040059128-A1 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-ih-pyrazoles CYP2E1, CYP2F1, CYP1A1 ERCC5 3952/4885FEN1 968/4885ALDH1A1 28/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 ERCC5 3479/4885FEN1 2891/4885ALDH1A1 3714/4885
US-11192893-B2 Pyrazoloquinazolinone antitumor agents H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, TPD52L2 ERCC5 168/4885FEN1 3359/4885ALDH1A1 317/4885

“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.