SCHEMBL4500027

SCHEMBL4500027

O=c1[nH]c(C2CN(/C(=C\[N+](=O)[O-])NCC3CCCCC3)C2)nc2c1cnn2C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.51
PDE1C Q14123 8/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PDE1B Q01064 1/20 0.41

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
SCHEMBL4500030 1.00 PDE9A (0.51) PDE9APDE1CHDAC1HDAC2HDAC6
SCHEMBL4500032 0.87 TYK2 (0.44) PDE9APDE1C
SCHEMBL13870452 0.87 PDE9A (0.52) PDE9APDE1CHDAC1HDAC2HDAC6
SCHEMBL4524011 0.85 PDE9A (0.57) PDE9APDE1CHDAC1HDAC2HDAC6
SCHEMBL4512427 0.79 PDE9A (0.51) PDE9APDE1CHDAC1HDAC2HDAC6
SCHEMBL4516242 0.79 PDE9A (0.51) PDE9APDE1CHDAC1HDAC2HDAC6
SCHEMBL4512418 0.79 PDE9A (0.51) PDE9APDE1CHDAC1HDAC2HDAC6
SCHEMBL4510198 0.77 PDE9A (0.56) PDE9APDE1CHDAC1HDAC2HDAC6
SCHEMBL4511763 0.77 PDE9A (0.56) PDE9APDE1CHDAC1HDAC2HDAC6
SCHEMBL13865753 0.76 PDE9A (0.57) PDE9APDE1CHDAC1HDAC2HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B PDE9A 13/4885PDE1C 190/4885HDAC1 869/4885

“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.