SCHEMBL3312335

SCHEMBL3312335

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
FOXO1 Q12778 1/20 0.36
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
EPHX2 P34913 1/20 0.33
S1PR3 Q99500 2/20 0.33
P2RX3 P56373 1/20 0.33
EPHX1 P07099 1/20 0.32
PTGER4 P35408 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HTR4 Q13639 3/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL13333122 0.97 KMT2A (0.41) MEN1KMT2AGAAFOXO1PTGS1
SCHEMBL13333112 0.89 MEN1 (0.40) MEN1KMT2AGAAFOXO1S1PR3
SCHEMBL3311445 0.87 KMT2A (0.42) MEN1KMT2AGAAFOXO1EPHX2
SCHEMBL3316955 0.86 MEN1 (0.40) MEN1KMT2AGAAFOXO1S1PR3
SCHEMBL13332534 0.85 KMT2A (0.42) MEN1KMT2AGAAFOXO1P2RX3
SCHEMBL13332605 0.85 KMT2A (0.42) MEN1KMT2AGAAFOXO1P2RX3
SCHEMBL3303548 0.85 GAA (0.44) MEN1KMT2AGAAFOXO1PTGS1
SCHEMBL13333106 0.84 KMT2A (0.42) MEN1KMT2AGAAFOXO1EPHX2
SCHEMBL13332717 0.84 CYP3A4 (0.42) MEN1KMT2AGAAFOXO1P2RX3
SCHEMBL13332721 0.84 CYP3A4 (0.42) MEN1KMT2AGAAFOXO1P2RX3

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
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 3655/4885KMT2A 4094/4885GAA 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.