SCHEMBL3311445

SCHEMBL3311445

O=C(O)CCCNn1c(=O)c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
FOXO1 Q12778 1/20 0.37
EPHX2 P34913 1/20 0.34
OGFRL1 Q5TC84 1/20 0.33
EPHX1 P07099 1/20 0.33
SLC6A2 P23975 2/20 0.33
EGLN1 Q9GZT9 2/20 0.32
OGFOD1 Q8N543 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 3/20 0.32
POLB P06746 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL13333139 0.97 KMT2A (0.42) KMT2AMEN1GAAFOXO1EPHX2
SCHEMBL13333106 0.97 KMT2A (0.42) KMT2AMEN1GAAFOXO1EPHX2
SCHEMBL13332763 0.88 MEN1 (0.41) KMT2AMEN1GAAFOXO1OGFRL1
SCHEMBL3312335 0.87 MEN1 (0.41) KMT2AMEN1GAAFOXO1EPHX2
SCHEMBL3311728 0.87 OGFRL1 (0.33) KMT2AMEN1GAAOGFRL1SLC6A2
SCHEMBL13333082 0.86 MEN1 (0.41) KMT2AMEN1GAAFOXO1OGFRL1
SCHEMBL13333138 0.86 MEN1 (0.41) KMT2AMEN1GAAFOXO1OGFRL1
SCHEMBL13332767 0.86 KMT2A (0.43) KMT2AMEN1GAAFOXO1OGFRL1
SCHEMBL13332822 0.85 MEN1 (0.41) KMT2AMEN1GAAFOXO1OGFRL1
SCHEMBL3312189 0.85 KMT2A (0.43) KMT2AMEN1GAAFOXO1ALDH1A1

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
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US claimed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 EP claimed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 EP 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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND P2RY12, P2RY4, P2RY1 KMT2A 4094/4885MEN1 3655/4885GAA 4306/4885

“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.