SCHEMBL13865748

SCHEMBL13865748

BOC(=O)N1CC(c2nc3c(c(C)nn3C3CCCCC3)c(=O)[nH]2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KHK P50053 4/20 0.40
CFTR P13569 1/20 0.36
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
NR3C1 P04150 3/20 0.34
HPGD P15428 4/20 0.34
TSHR P16473 3/20 0.34
USP2 O75604 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.33
PDE7A Q13946 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE7B Q9NP56 1/20 0.33
PDE9A O76083 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
SCHEMBL13865752 0.92 KHK (0.45) ALDH1A1KDM4EHSD17B10KHKCFTR
SCHEMBL13865755 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10KHKCFTR
SCHEMBL13865946 0.89 KDM4E (0.40) ALDH1A1KDM4EHSD17B10KHKNR3C1
SCHEMBL13865736 0.88 KDM4E (0.42) ALDH1A1KDM4EHSD17B10KHKCFTR
SCHEMBL13865774 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10KHKCFTR
SCHEMBL13865756 0.84 KHK (0.47) ALDH1A1KDM4EHSD17B10KHKCFTR
SCHEMBL4514986 0.83 KHK (0.44) ALDH1A1KDM4EHSD17B10KHKDRD1
SCHEMBL13865846 0.83 KHK (0.48) ALDH1A1KDM4EHSD17B10KHKCFTR
SCHEMBL13865763 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10KHKCFTR
SCHEMBL13865746 0.82 PDE5A (0.39) ALDH1A1KHKDRD1DRD5HPGD

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 ALDH1A1 240/4885KDM4E 2692/4885HSD17B10 1459/4885

“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.