SCHEMBL3604439

SCHEMBL3604439

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(CC3CCCCC3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KCNJ1 P48048 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
CNR1 P21554 2/20 0.33
HRH1 P35367 3/20 0.33
CCR3 P51677 3/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CCR5 P51681 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3597976 1.00 NPSR1 (0.35) NPSR1L3MBTL1MEN1KMT2AKCNJ1
SCHEMBL3597793 0.98 KCNJ1 (0.34) NPSR1L3MBTL1MEN1KMT2AKCNJ1
SCHEMBL3597797 0.98 KCNJ1 (0.34) NPSR1L3MBTL1MEN1KMT2AKCNJ1
SCHEMBL13254241 0.93 AR (0.34) NPSR1L3MBTL1MEN1KMT2AKCNJ1
SCHEMBL13254242 0.91 BCHE (0.33) MEN1KMT2AKCNJ1HRH1CCR3
SCHEMBL3596388 0.90 SIGMAR1 (0.39) NPSR1MEN1KMT2AKCNJ1PTGDR2
SCHEMBL3591379 0.89 HRH2 (0.38) MEN1KMT2AKCNJ1HRH1CCR3
SCHEMBL3591374 0.89 HRH2 (0.38) MEN1KMT2AKCNJ1HRH1CCR3
SCHEMBL3601167 0.89 ACHE (0.37) MEN1KMT2AKCNJ1BCHEACHE
SCHEMBL3589013 0.89 ALDH1A1 (0.37) MEN1KMT2AKCNJ1BCHEACHE

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
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 NPSR1 535/4885L3MBTL1 3816/4885MEN1 3628/4885

“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.