SCHEMBL3310491

SCHEMBL3310491

O=C(O)Cn1cc(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
FOXO1 Q12778 1/20 0.39
SCN9A Q15858 1/20 0.38
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SHMT2 P34897 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
CNR1 P21554 4/20 0.33
CNR2 P34972 4/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HCAR3 P49019 1/20 0.32
GSK3B P49841 1/20 0.32
PTGDR Q13258 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
SCHEMBL13332631 0.88 GAA (0.43) MEN1GAAKMT2AFOXO1SCN9A
SCHEMBL3311810 0.86 MEN1 (0.42) MEN1GAAKMT2AFOXO1MAPK1
SCHEMBL13332995 0.86 MEN1 (0.46) MEN1GAAKMT2AFOXO1SCN9A
SCHEMBL13332624 0.79 TNF (0.52) MEN1GAAKMT2ACNR2
SCHEMBL13332622 0.75 MEN1 (0.40) MEN1GAAKMT2AFOXO1MAPK1
SCHEMBL13332994 0.74 MEN1 (0.43) MEN1GAAKMT2AFOXO1MAPK1
SCHEMBL13332466 0.73 MEN1 (0.38) MEN1GAAKMT2AFOXO1SHMT2
SCHEMBL3312312 0.70 MEN1 (0.46) MEN1GAAKMT2AFOXO1SMN1; SMN2
SCHEMBL3311607 0.70 TOP2A (0.32)
SCHEMBL13332752 0.69 MEN1 (0.45) MEN1GAAKMT2AFOXO1PTGDR2

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 5 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 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
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 MEN1 3655/4885GAA 4306/4885KMT2A 4094/4885

“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.