SCHEMBL13865834

SCHEMBL13865834

COC(=O)c1ccc(C(=O)N2CCCC(c3nc4c(c(C)nn4C4CCCCC4)c(=O)[nH]3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
HTT P42858 1/20 0.46
THRB P10828 1/20 0.46
TP53 P04637 4/20 0.45
MAPK1 P28482 1/20 0.45
KHK P50053 1/20 0.44
MAPT P10636 5/20 0.41
KMT2A Q03164 2/20 0.39
MERTK Q12866 1/20 0.39
USP2 O75604 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PDE7A Q13946 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL13865853 0.92 MAPT (0.47) HPGDALDH1A1TSHRHTTTHRB
SCHEMBL13865865 0.92 HPGD (0.54) HPGDALDH1A1TSHRHTTTHRB
SCHEMBL13865892 0.90 HPGD (0.54) HPGDALDH1A1TSHRHTTTHRB
SCHEMBL13865939 0.89 HPGD (0.45) HPGDALDH1A1TSHRHTTTHRB
SCHEMBL13865821 0.88 HPGD (0.46) HPGDALDH1A1TSHRHTTTHRB
SCHEMBL13865905 0.88 TP53 (0.48) HPGDALDH1A1TSHRHTTTHRB
SCHEMBL13865847 0.85 THRB (0.54) HPGDALDH1A1TSHRHTTTHRB
SCHEMBL13865906 0.85 KHK (0.44) HPGDALDH1A1TSHRHTTTHRB
SCHEMBL13865916 0.85 HPGD (0.46) HPGDALDH1A1TSHRHTTTHRB
SCHEMBL13865752 0.84 KHK (0.45) HPGDALDH1A1TSHRHTTTHRB

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 132/4885ALDH1A1 240/4885TSHR 4657/4885

“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.