SCHEMBL3304019

SCHEMBL3304019

O=C(O)Nn1c(=O)c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FOXO1 Q12778 1/20 0.37
PIK3CA P42336 2/20 0.36
PRKDC P78527 2/20 0.36
HDAC8 Q9BY41 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
HPD P32754 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MTOR P42345 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33

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
SCHEMBL13332767 0.88 KMT2A (0.43) GAAMEN1KMT2AFOXO1TAS2R14
SCHEMBL3303548 0.86 GAA (0.44) GAAMEN1KMT2AFOXO1HDAC8
SCHEMBL3309037 0.84 MEN1 (0.42) GAAMEN1KMT2AFOXO1PIK3CA
SCHEMBL3309039 0.84 MEN1 (0.42) GAAMEN1KMT2AFOXO1PIK3CA
SCHEMBL3309931 0.84 ALDH1A1 (0.42) GAAMEN1KMT2ACCND1ALDH1A1
SCHEMBL4389456 0.83 KMT2A (0.46) GAAMEN1KMT2AFOXO1TAS2R14
SCHEMBL13333143 0.83 ALDH1A1 (0.41) GAAMEN1KMT2APRKDCALDH1A1
SCHEMBL3311445 0.83 KMT2A (0.42) GAAMEN1KMT2AFOXO1CCND1
SCHEMBL3308102 0.83 MEN1 (0.46) GAAMEN1KMT2AFOXO1PIK3CA
SCHEMBL13333106 0.82 KMT2A (0.42) GAAMEN1KMT2AFOXO1ALDH1A1

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 2 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
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 GAA 4306/4885MEN1 3655/4885KMT2A 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.