SCHEMBL20409291

SCHEMBL20409291

Cc1cccc(-n2c(CSc3ncnc4[nH]cnc34)nc3ccccc3c2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
HSD17B10 Q99714 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 1/20 0.56
PIK3CG P48736 4/20 0.52
POLB P06746 2/20 0.52
RECQL P46063 1/20 0.52
PDE10A Q9Y233 1/20 0.49
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
PLA2G1B P04054 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44

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
SCHEMBL734395 0.91 ALDH1A1 (0.72) ALDH1A1HSD17B10RXFP1SMN1; SMN2GAA
SCHEMBL733471 0.90 HSD17B10 (0.61) ALDH1A1HSD17B10RXFP1SMN1; SMN2GAA
SCHEMBL734722 0.90 ALDH1A1 (0.59) ALDH1A1HSD17B10RXFP1SMN1; SMN2GAA
SCHEMBL12264959 0.88 ALDH1A1 (0.57) ALDH1A1HSD17B10RXFP1SMN1; SMN2GAA
SCHEMBL18415242 0.87 SMN1; SMN2 (0.77) ALDH1A1HSD17B10RXFP1SMN1; SMN2GAA
SCHEMBL735258 0.85 ALDH1A1 (0.67) ALDH1A1HSD17B10RXFP1SMN1; SMN2GAA
SCHEMBL18539559 0.85 PIK3CG (0.61) ALDH1A1HSD17B10RXFP1SMN1; SMN2GAA
SCHEMBL735179 0.85 HSD17B10 (0.64) ALDH1A1HSD17B10RXFP1SMN1; SMN2GAA
SCHEMBL27764793 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10RXFP1SMN1; SMN2GAA
SCHEMBL735038 0.82 PIK3CG (0.75) ALDH1A1HSD17B10RXFP1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180209956-A1 HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2018-07-26 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-20180209956-A1 HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies RAD52, BRCA1, RAD50 ALDH1A1 3621/4885HSD17B10 1846/4885RXFP1 4169/4885

“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.