SCHEMBL13332452

SCHEMBL13332452

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
FOXO1 Q12778 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KAT2B Q92831 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
SOS1 Q07889 1/20 0.32
PDE5A O76074 2/20 0.32
EHMT1 Q9H9B1 1/20 0.32
CNR1 P21554 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL13333048 0.84 MEN1 (0.44) MEN1GAAKMT2AFOXO1TAS2R14
Hydrochloric Acid SCHEMBL3316237 0.84 MEN1 (0.43) MEN1GAAKMT2AFOXO1TAS2R14
SCHEMBL3312330 0.83 GAA (0.46) MEN1GAAKMT2AFOXO1TAS2R14
SCHEMBL3303548 0.82 GAA (0.44) MEN1GAAKMT2AFOXO1TAS2R14
SCHEMBL13332752 0.81 MEN1 (0.45) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL13332447 0.79 MPO (0.40)
SCHEMBL13332440 0.78 MEN1 (0.43) MEN1GAAKMT2APTGS1PTGS2
SCHEMBL13332534 0.78 KMT2A (0.42) MEN1GAAKMT2AFOXO1POLB
SCHEMBL13332756 0.78 MEN1 (0.42) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL3316748 0.78 KMT2A (0.42) MEN1GAAKMT2AFOXO1PTGS1

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
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 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.