SCHEMBL1722284

SCHEMBL1722284

COC(=O)c1ccc(F)cc1OCOC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.55
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLA2G2A P14555 3/20 0.38
MYC P01106 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL1722785 0.87 FFAR4 (0.57) FFAR4TDP1MEN1KMT2ASLC6A4
SCHEMBL187037 0.87 FFAR4 (0.59) FFAR4TDP1MEN1KMT2ASLC6A4
SCHEMBL25794823 0.82 TDP1 (0.62) FFAR4TDP1MEN1KMT2ASLC6A4
SCHEMBL28052851 0.82 FFAR4 (0.60) FFAR4TDP1MEN1KMT2ASLC6A4
SCHEMBL15743618 0.80 FFAR4 (0.51) FFAR4TDP1KMT2ASLC6A4SLC6A3
SCHEMBL25344842 0.79 FFAR4 (0.57) FFAR4TDP1MEN1KMT2ASLC6A4
SCHEMBL20509598 0.79 FFAR4 (0.64) FFAR4TDP1MEN1KMT2ASLC6A4
SCHEMBL25247535 0.78 FFAR4 (0.56) FFAR4TDP1MEN1KMT2ASLC6A4
SCHEMBL1146881 0.78 FFAR4 (0.55) FFAR4MEN1KMT2ASLC6A4SLC6A3
SCHEMBL2545851 0.77 FFAR4 (0.55) FFAR4TDP1MEN1KMT2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404922-B1 QUINOXALINE COMPOUNDS ASTELLAS PHARMA INC (JP) 2016-11-09 EP disclosed
US-8674096-B2 Substituted imidazo[1,5-a]quinoxalin-4-ones as phosphodiesterase 9 inhibitors ASTELLAS PHARMA INC. (JP) 2014-03-18 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 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 (2 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A FFAR4 4109/4885TDP1 268/4885MEN1 3293/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A FFAR4 4108/4885TDP1 553/4885MEN1 2870/4885

“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.