SCHEMBL3309037

SCHEMBL3309037

O=C(O)/C=C/CNn1c(=O)c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
FOXO1 Q12778 1/20 0.35
PSMB5 P28074 1/20 0.33
PSMB2 P49721 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PDE5A O76074 1/20 0.31
PIK3CA P42336 4/20 0.31
PRKDC P78527 3/20 0.31
MTOR P42345 2/20 0.31
SLC6A2 P23975 2/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
OPRL1 P41146 4/20 0.30
OPRM1 P35372 3/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL3309039 1.00 MEN1 (0.42) MEN1GAAKMT2AFOXO1PSMB5
SCHEMBL13333008 0.89 MEN1 (0.41) MEN1GAAKMT2AFOXO1PSMB5
SCHEMBL3312432 0.87 MEN1 (0.43) MEN1GAAKMT2AFOXO1PSMB5
SCHEMBL3312427 0.87 MEN1 (0.43) MEN1GAAKMT2AFOXO1PSMB5
SCHEMBL3304019 0.84 GAA (0.45) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL3311445 0.82 KMT2A (0.42) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL3309420 0.82 KMT2A (0.41) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL3309432 0.82 KMT2A (0.41) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL13333106 0.81 KMT2A (0.42) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL13333139 0.81 KMT2A (0.42) MEN1GAAKMT2AFOXO1ALDH1A1

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 4 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

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.