SCHEMBL5238745

SCHEMBL5238745

CCCCOc1c(CN2C(=O)c3ccccc3C2=O)n(CC(C)(C)C)c(=O)c2ccc(C)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 2/20 0.40
RORC P51449 2/20 0.40
RORB Q92753 2/20 0.40
PGR P06401 1/20 0.40
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 3/20 0.39
PTK2B Q14289 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 5/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DPP4 P27487 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL5233781 0.96 HPGD (0.39) RORARORCRORBPGRHPGD
SCHEMBL5232925 0.90 TSHR (0.45) RORARORCRORBPGRHPGD
SCHEMBL5236649 0.90 MEN1 (0.40) RORARORCRORBPGRTSHR
SCHEMBL5238249 0.90 TSHR (0.38) RORARORCRORBPGRNPSR1
SCHEMBL5234959 0.90 PRMT5 (0.39) NPSR1TSHRPTK2BL3MBTL1MAPT
SCHEMBL5235940 0.90 ALDH1A1 (0.40) HPGDNPSR1TSHRPTK2BL3MBTL1
SCHEMBL5237827 0.88 TSHR (0.42) HPGDNPSR1TSHRPTK2BL3MBTL1
SCHEMBL5230945 0.88 RORA (0.39) RORARORCRORBPGRTSHR
SCHEMBL5239302 0.87 TSHR (0.39) HPGDNPSR1TSHRPTK2BL3MBTL1
SCHEMBL5236732 0.86 KDM4E (0.42) TSHRPTK2BMAPK1MAPTTP53

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US disclosed
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 WO 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 RORA 2682/4885RORC 2671/4885RORB 2617/4885

“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.