SCHEMBL3303548

SCHEMBL3303548

CC(C)n1c(=O)n(NC(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
FOXO1 Q12778 1/20 0.37
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
S1PR3 Q99500 1/20 0.33
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
S1PR1 P21453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA1 P30542 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
SCHEMBL3304019 0.86 GAA (0.45) GAAMEN1KMT2APTGS1PTGS2
SCHEMBL3312335 0.85 MEN1 (0.41) GAAMEN1KMT2APTGS1PTGS2
SCHEMBL13333122 0.84 KMT2A (0.41) GAAMEN1KMT2APTGS1PTGS2
SCHEMBL13333107 0.84 ALDH1A1 (0.41) GAAMEN1KMT2AALDH1A1S1PR3
SCHEMBL13332752 0.83 MEN1 (0.45) GAAMEN1KMT2APTGS1PTGS2
SCHEMBL4389456 0.82 KMT2A (0.46) GAAMEN1KMT2AFOXO1TAS2R14
SCHEMBL13332452 0.82 MEN1 (0.44) GAAMEN1KMT2APTGS1PTGS2
SCHEMBL3316748 0.82 KMT2A (0.42) GAAMEN1KMT2APTGS1PTGS2
SCHEMBL13332605 0.82 KMT2A (0.42) GAAMEN1KMT2AFOXO1POLB
SCHEMBL13332534 0.82 KMT2A (0.42) GAAMEN1KMT2AFOXO1POLB

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 1 patent. 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

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.