SCHEMBL13865752

SCHEMBL13865752

BOC(=O)N1CCCC(c2nc3c(c(C)nn3C3CCCCC3)c(=O)[nH]2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KHK P50053 4/20 0.45
HPGD P15428 8/20 0.40
ALDH1A1 P00352 7/20 0.40
TSHR P16473 5/20 0.40
MAPT P10636 4/20 0.40
USP2 O75604 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.36
CFTR P13569 1/20 0.36

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
SCHEMBL13865748 0.92 ALDH1A1 (0.42) KHKHPGDALDH1A1TSHRMAPT
SCHEMBL13865756 0.90 KHK (0.47) KHKHPGDALDH1A1TSHRMAPT
SCHEMBL13865742 0.89 KHK (0.45) KHKHPGDALDH1A1TSHRMAPT
SCHEMBL13865953 0.87 KHK (0.51) KHKHPGDALDH1A1TSHRMAPT
SCHEMBL13870387 0.85 KHK (0.48) KHKHPGDALDH1A1TSHRMAPT
SCHEMBL13865750 0.85 KHK (0.45) KHKHPGDALDH1A1TSHRMAPT
SCHEMBL13865834 0.84 HPGD (0.46) KHKHPGDALDH1A1TSHRMAPT
SCHEMBL13865755 0.84 ALDH1A1 (0.44) KHKHPGDALDH1A1TSHRMAPT
SCHEMBL13865892 0.83 HPGD (0.54) KHKHPGDALDH1A1TSHRMAPT
SCHEMBL13865865 0.82 HPGD (0.54) KHKHPGDALDH1A1TSHRMEN1

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 KHK 3420/4885HPGD 132/4885ALDH1A1 240/4885

“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.