SCHEMBL8666396

SCHEMBL8666396

Cn1c(=O)c2[nH]c(CN)nc2n(C)c1=O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
ALDH1A1 P00352 5/20 0.68
HSD17B10 Q99714 2/20 0.68
CYP3A4 P08684 1/20 0.68
CASP1 P29466 1/20 0.68
CASP7 P55210 1/20 0.68
CYP2C19 P33261 3/20 0.58
CYP1A2 P05177 1/20 0.58
PABPC1 P11940 1/20 0.57
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPK1 P28482 2/20 0.53
ALOX15 P16050 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.52
NR2F2 P24468 1/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52

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
Hydrochloric Acid SCHEMBL8666334 0.98 POLB (0.68) POLBALDH1A1HSD17B10CYP3A4CASP1
Iodoacetamide SCHEMBL8666075 0.89 POLB (0.57) POLBALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL8664913 0.87 POLB (0.75) POLBALDH1A1HSD17B10CYP3A4CASP1
Hydrochloric Acid SCHEMBL8668067 0.86 POLB (0.73) POLBALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL515773 0.85 POLB (0.77) POLBALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL8595449 0.84 POLB (0.71) POLBALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL28991327 0.83 ALDH1A1 (0.72) POLBALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL3368846 0.83 POLB (0.69) POLBALDH1A1HSD17B10CYP3A4CASP1
Hydrochloric Acid SCHEMBL6496307 0.83 POLB (0.69) POLBALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL8667688 0.83 ALDH1A1 (0.70) POLBALDH1A1HSD17B10CYP3A4CASP1

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-20220202821-A1 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-30 US disclosed
WO-2020205646-A2 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-08 WO disclosed
US-5843634-A Genetically engineered enzymes and their conjugates for diagnostic assays ABBOTT LABORATORIES (US) 1998-12-01 US disclosed
EP-0688364-A4 GENETICALLY ENGINEERED ENZYMES AND THEIR CONJUGATES FOR DIAGNOSTIC ASSAYS ABBOTT LAB (US) 1997-10-15 EP disclosed
US-5516647-A 6-PHENYL-IMIDAZO(2,1-B)THIAZOLES ABBOTT LABORATORIES (US) 1996-05-14 US disclosed
EP-0688364-A1 GENETICALLY ENGINEERED ENZYMES AND THEIR CONJUGATES FOR DIAGNOSTIC ASSAYS ABBOTT LABORATORIES (US) 1995-12-27 EP disclosed
WO-1994020636-A9 GENETICALLY ENGINEERED ENZYMES AND THEIR CONJUGATES FOR DIAGNOSTIC ASSAYS 1994-11-24 WO disclosed
WO-1994020636-A1 GENETICALLY ENGINEERED ENZYMES AND THEIR CONJUGATES FOR DIAGNOSTIC ASSAYS ABBOTT LABORATORIES (US) 1994-09-15 WO disclosed
US-5097097-A Tracers, medical diagnosis ABBOTT LABORATORIES (US) 1992-03-17 US disclosed
US-4593089-A Determining aminoglycosides ABBOTT LABORATORIES (US) 1986-06-03 US disclosed
US-4420568-A DETERMINING LIGANDS IN SAMPLE ABBOTT LABORATORIES (US) 1983-12-13 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 (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-20220202821-A1 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF PARG, PARP15, PLG POLB 1840/4885ALDH1A1 4146/4885HSD17B10 3703/4885

“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.