SCHEMBL17242517

SCHEMBL17242517

COc1ccc(Cn2c(=O)[nH]c3cc(F)c(F)cc3c2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.76
RXFP1 Q9HBX9 2/20 0.59
NPC1 O15118 1/20 0.55
GAA P10253 4/20 0.55
TP53 P04637 2/20 0.55
HSD17B10 Q99714 3/20 0.55
ALDH1A1 P00352 7/20 0.54
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
L3MBTL1 Q9Y468 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
SCHEMBL17241581 0.92 KDM4E (0.71) KDM4ERXFP1NPC1GAATP53
SCHEMBL19118390 0.91 KDM4E (0.69) KDM4ERXFP1NPC1GAATP53
SCHEMBL17242598 0.86 KDM4E (0.70) KDM4ERXFP1NPC1GAATP53
SCHEMBL17242622 0.85 KDM4E (0.56) KDM4ERXFP1NPC1GAATP53
SCHEMBL17242550 0.84 KDM4E (0.55) KDM4ERXFP1NPC1TP53HSD17B10
SCHEMBL17242545 0.83 KDM4E (0.59) KDM4ERXFP1NPC1GAATP53
SCHEMBL7649819 0.82 KDM4E (0.72) KDM4ERXFP1NPC1GAATP53
SCHEMBL7648334 0.82 KDM4E (0.72) KDM4ERXFP1GAATP53HSD17B10
SCHEMBL7655012 0.82 KDM4E (0.72) KDM4ERXFP1GAATP53HSD17B10
SCHEMBL17242675 0.82 KDM4E (0.67) KDM4ERXFP1TP53HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2017-05-18 US disclosed
EP-3140301-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES Orion Corporation (FI) 2017-03-15 EP disclosed
WO-2015169999-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2015-11-12 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 (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-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES GABRB1, GABRB3, GABRB2 KDM4E 1998/4885RXFP1 84/4885NPC1 1329/4885

“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.