SCHEMBL3591966

SCHEMBL3591966

CCOC(=O)CCc1cc(OC)c(C(=O)C2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.35
HTR2A P28223 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CCR5 P51681 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL3599937 0.93 MAPK1 (0.37) ALDH1A1MAPK1HTR2AHTR1AHTR1D
SCHEMBL3589591 0.90 MAPK1 (0.35) ALDH1A1MAPTGAASMN1; SMN2MAPK1
SCHEMBL3595511 0.90 BCHE (0.36) SMN1; SMN2MAPK1BCHEACHEPOLB
SCHEMBL3592165 0.90 HTR2A (0.45) ALDH1A1MAPTHTR2AACHEPOLB
SCHEMBL3599662 0.90 ACHE (0.36) MAPK1BCHEACHEPOLB
SCHEMBL3598302 0.89 BCHE (0.36) ALDH1A1MAPTSMN1; SMN2MAPK1BCHE
SCHEMBL3597700 0.88 MAPK1 (0.34) ALDH1A1MAPTGAASMN1; SMN2MAPK1
SCHEMBL3598752 0.88 MAPT (0.34) ALDH1A1MAPTGAASMN1; SMN2MAPK1
SCHEMBL3590631 0.87 BCHE (0.35) ALDH1A1MAPTGAASMN1; SMN2MAPK1
SCHEMBL13282424 0.87 MAPK1 (0.35) MAPK1HTR2AHTR1AHTR1DHTR7

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 ALDH1A1 4118/4885MAPT 4708/4885GAA 4756/4885

“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.