SCHEMBL13865833

SCHEMBL13865833

Cc1nn(C2CCCCC2)c2nc(C3CCCN(C(=O)c4cccc(NS(C)(=O)=O)c4)C3)[nH]c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KHK P50053 1/20 0.42
TP53 P04637 4/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 5/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.39
BTK Q06187 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DGAT2 Q96PD7 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL13865828 0.90 MAPT (0.43) MAPTKHKTP53THRBHPGD
SCHEMBL13865853 0.86 MAPT (0.47) MAPTKHKTP53THRBHPGD
SCHEMBL13865892 0.86 HPGD (0.54) MAPTKHKTP53THRBHPGD
SCHEMBL4507934 0.86 KHK (0.45) MAPTKHKTP53THRBHPGD
SCHEMBL13865847 0.85 THRB (0.54) MAPTKHKTP53THRBHPGD
SCHEMBL13865859 0.82 THRB (0.54) MAPTKHKTP53THRBHPGD
SCHEMBL13865939 0.82 HPGD (0.45) KHKTP53THRBHPGDALDH1A1
SCHEMBL13865834 0.81 HPGD (0.46) MAPTKHKTP53THRBHPGD
SCHEMBL13865906 0.80 KHK (0.44) MAPTKHKTP53THRBHPGD
SCHEMBL13865865 0.80 HPGD (0.54) KHKTP53THRBHPGDALDH1A1

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 MAPT 4149/4885KHK 3420/4885TP53 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.