SCHEMBL13865892

SCHEMBL13865892

Cc1nn(C2CCCCC2)c2nc(C3CCCN(C(=O)c4ccccc4)C3)[nH]c(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
KHK P50053 4/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 3/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 5/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.45
USP2 O75604 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX15 P16050 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.44
HSD11B1 P28845 1/20 0.44

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
SCHEMBL13865846 0.94 KHK (0.48) HPGDKHKALDH1A1TSHRHTT
SCHEMBL13865865 0.90 HPGD (0.54) HPGDKHKALDH1A1TSHRHTT
SCHEMBL13865821 0.90 HPGD (0.46) HPGDKHKALDH1A1TSHRHTT
SCHEMBL13865834 0.90 HPGD (0.46) HPGDKHKALDH1A1TSHRHTT
SCHEMBL13865889 0.90 KHK (0.49) HPGDKHKALDH1A1TSHRHTT
SCHEMBL13865905 0.89 TP53 (0.48) HPGDKHKALDH1A1TSHRHTT
SCHEMBL13865853 0.89 MAPT (0.47) HPGDKHKALDH1A1TSHRHTT
SCHEMBL13865847 0.89 THRB (0.54) HPGDKHKALDH1A1TSHRHTT
SCHEMBL13865939 0.88 HPGD (0.45) HPGDKHKALDH1A1TSHRHTT
SCHEMBL13865896 0.88 HPGD (0.57) HPGDKHKALDH1A1TSHRHTT

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-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

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 HPGD 132/4885KHK 3420/4885ALDH1A1 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.