SCHEMBL13865847

SCHEMBL13865847

COc1cccc(C(=O)N2CCCC(c3nc4c(c(C)nn4C4CCCCC4)c(=O)[nH]3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
HPGD P15428 4/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
PDE2A O00408 2/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADORA2A P29274 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KHK P50053 1/20 0.46
PDE3A Q14432 1/20 0.46
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.44
PROKR1 Q8TCW9 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
SCHEMBL13865859 0.98 THRB (0.54) THRBHPGDTP53MAPK1PDE2A
SCHEMBL13865812 0.94 THRB (0.47) THRBHPGDTP53MAPK1PDE2A
SCHEMBL13865853 0.91 MAPT (0.47) THRBHPGDTP53MAPK1ALDH1A1
SCHEMBL13865865 0.90 HPGD (0.54) THRBHPGDTP53MAPK1PDE2A
SCHEMBL13865892 0.89 HPGD (0.54) THRBHPGDTP53MAPK1ALDH1A1
SCHEMBL13865884 0.87 KHK (0.60) THRBHPGDTP53MAPK1PDE2A
SCHEMBL13865834 0.85 HPGD (0.46) THRBHPGDTP53MAPK1ALDH1A1
SCHEMBL13865815 0.85 PDE9A (0.57) THRBHPGDTP53MAPK1PDE2A
SCHEMBL13865833 0.85 MAPT (0.43) THRBHPGDTP53MAPK1ALDH1A1
SCHEMBL13865823 0.84 TSHR (0.47) THRBHPGDTP53MAPK1PDE2A

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 THRB 4184/4885HPGD 132/4885TP53 2773/4885

“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.