SCHEMBL13865865

SCHEMBL13865865

COc1ccc(C(=O)N2CCCC(c3nc4c(c(C)nn4C4CCCCC4)c(=O)[nH]3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
TP53 P04637 2/20 0.54
MAPK1 P28482 1/20 0.54
THRB P10828 1/20 0.51
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
HIF1A Q16665 1/20 0.48
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KHK P50053 1/20 0.44
GRM3 Q14832 2/20 0.43
PDE2A O00408 1/20 0.43
PDE3A Q14432 1/20 0.43
HSD11B1 P28845 1/20 0.43
SCN9A Q15858 1/20 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
SCHEMBL13865834 0.92 HPGD (0.46) HPGDTP53MAPK1THRBALDH1A1
SCHEMBL13865847 0.90 THRB (0.54) HPGDTP53MAPK1THRBALDH1A1
SCHEMBL13865892 0.90 HPGD (0.54) HPGDTP53MAPK1THRBALDH1A1
SCHEMBL13865821 0.88 HPGD (0.46) HPGDTP53MAPK1THRBALDH1A1
SCHEMBL13865859 0.88 THRB (0.54) HPGDTP53MAPK1THRBALDH1A1
SCHEMBL13865905 0.88 TP53 (0.48) HPGDTP53MAPK1THRBALDH1A1
SCHEMBL13865939 0.87 HPGD (0.45) HPGDTP53MAPK1THRBALDH1A1
SCHEMBL13865853 0.85 MAPT (0.47) HPGDTP53MAPK1THRBALDH1A1
SCHEMBL13865823 0.85 TSHR (0.47) HPGDTP53MAPK1THRBALDH1A1
SCHEMBL13865906 0.85 KHK (0.44) HPGDTP53MAPK1THRBALDH1A1

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 132/4885TP53 2773/4885MAPK1 1550/4885

“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.