SCHEMBL13865889

SCHEMBL13865889

Cc1ccccc1C(=O)N1CCCC(c2nc3c(c(C)nn3C3CCCCC3)c(=O)[nH]2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 3/20 0.49
HSD11B1 P28845 2/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HPGD P15428 7/20 0.46
USP2 O75604 3/20 0.46
TP53 P04637 2/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL13865899 0.92 KHK (0.48) KHKHSD11B1PTGS1PTGS2HPGD
SCHEMBL13865896 0.92 HPGD (0.57) KHKHSD11B1HPGDUSP2ALDH1A1
SCHEMBL13865823 0.90 TSHR (0.47) KHKHPGDUSP2TP53ALDH1A1
SCHEMBL13865892 0.90 HPGD (0.54) KHKHSD11B1HPGDUSP2TP53
SCHEMBL4507934 0.88 KHK (0.45) KHKHSD11B1PTGS1PTGS2HPGD
SCHEMBL13865877 0.87 TSHR (0.47) KHKHPGDUSP2TP53ALDH1A1
SCHEMBL13865903 0.85 HSD11B1 (0.47) KHKHSD11B1HPGDUSP2TP53
SCHEMBL13865918 0.85 KMT2A (0.54) KHKHPGDUSP2ALDH1A1TSHR
SCHEMBL13865820 0.84 KHK (0.42) KHKHSD11B1PTGS1PTGS2HPGD
SCHEMBL13865953 0.84 KHK (0.51) KHKHPGDUSP2TP53ALDH1A1

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 KHK 3420/4885HSD11B1 1668/4885PTGS1 37/4885

“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.