SCHEMBL13254136

SCHEMBL13254136

CCOC(=O)Cc1ccc(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
CCR5 P51681 2/20 0.36
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
ABCB1 P08183 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL13254148 0.96 SIGMAR1 (0.36) SIGMAR1CCR5MAPK1ALDH1A1TP53
SCHEMBL13254149 0.96 SIGMAR1 (0.36) SIGMAR1CCR5MAPK1ALDH1A1TP53
SCHEMBL13254245 0.96 BCHE (0.34) CCR5ALDH1A1MAPTPDE4BPDE4D
SCHEMBL13254264 0.95 SIGMAR1 (0.37) SIGMAR1CCR5MAPK1ALDH1A1TP53
SCHEMBL13254244 0.95 MEN1 (0.38) CCR5ALDH1A1TP53MAPTPDE4B
SCHEMBL13254258 0.95 MAPT (0.35) ALDH1A1MAPTPDE4BPDE4DBCHE
SCHEMBL13254250 0.95 HRH2 (0.35) SIGMAR1CCR5MAPK1MAPTPDE4B
SCHEMBL13254248 0.95 PDE4B (0.36) SIGMAR1CCR5MAPK1ALDH1A1MAPT
SCHEMBL13254246 0.95 PDE4B (0.36) MAPK1ALDH1A1TP53MAPTNPSR1
SCHEMBL13254257 0.94 MEN1 (0.37) MAPK1ALDH1A1MAPTPDE4BPDE4D

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-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

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 SIGMAR1 588/4885CCR5 958/4885MAPK1 703/4885

“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.