SCHEMBL4053757

SCHEMBL4053757

COc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2Cc2ccc(C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 8/20 0.50
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CNR2 P34972 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 6/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TLR7 Q9NYK1 2/20 0.46
PPARG P37231 2/20 0.45
BRD4 O60885 1/20 0.43
MAOB P27338 1/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
GAA P10253 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
SCHEMBL4051260 0.96 HTT (0.52) HTTKDM4ELMNATP53NR1H2
SCHEMBL4058160 0.95 HTT (0.54) HTTKDM4ELMNATP53NR1H2
SCHEMBL4052511 0.92 MAPT (0.52) HTTKDM4ELMNATP53NR1H2
SCHEMBL4049864 0.92 BRD4 (0.51) HTTKDM4ELMNATP53NR1H2
SCHEMBL4053870 0.91 MAPT (0.45) HTTKDM4ELMNATP53NR1H2
SCHEMBL4059602 0.91 NR1H2 (0.47) HTTKDM4ELMNATP53NR1H2
SCHEMBL4059681 0.91 NR1H2 (0.48) HTTKDM4ELMNATP53NR1H2
SCHEMBL4062062 0.90 SERPINE1 (0.48) HTTKDM4ELMNATP53NR1H2
SCHEMBL4051246 0.90 CCR2 (0.46) HTTKDM4ELMNATP53NR1H2
SCHEMBL4060426 0.90 MAPT (0.45) HTTKDM4ELMNATP53NR1H2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B HTT 4772/4885KDM4E 496/4885LMNA 2175/4885

“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.