SCHEMBL3603366

SCHEMBL3603366

CCOC(=O)CCc1ccc(OC2CCN(CC(O)(c3cn(Cc4ccccc4F)c4cc(Br)ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
PDE4B Q07343 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
RIPK1 Q13546 2/20 0.33
POLB P06746 2/20 0.33
HRH2 P25021 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL13254263 0.94 PDE4B (0.34) MAPTPDE4BKDM4EMEN1ALDH1A1
SCHEMBL3592032 0.93 ALDH1A1 (0.33) PDE4BKDM4EMEN1ALDH1A1TSHR
SCHEMBL3598098 0.93 MAPT (0.37) MAPTTP53THRBPDE4BKDM4E
SCHEMBL3597402 0.89 HRH2 (0.36) MAPTPDE4BKDM4EMEN1ALDH1A1
SCHEMBL3596553 0.86 BCHE (0.38) KDM4EMEN1KMT2AHRH2LMNA
SCHEMBL3599494 0.86 MEN1 (0.35) PDE4BKDM4EMEN1ALDH1A1KMT2A
SCHEMBL3599950 0.86 POLB (0.38) MAPTPDE4BALDH1A1KMT2APOLB
SCHEMBL13254208 0.85 PDE4B (0.33) MAPTPDE4BKDM4EMEN1ALDH1A1
SCHEMBL14160158 0.85 GPR6 (0.35) MAPTPDE4BPOLB
SCHEMBL13254252 0.84 PDE4B (0.33) MAPTTHRBPDE4BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 MAPT 4708/4885TP53 3579/4885THRB 1246/4885

“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.