SCHEMBL3597045

SCHEMBL3597045

COc1cc(CCC(=O)O)cc(OC)c1OC1CCN(CC(O)(c2cn(CC3CCC3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
KCNJ1 P48048 1/20 0.34
FKBP1A P62942 1/20 0.33
HTR1A P08908 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
CNR1 P21554 1/20 0.31
HTR1D P28221 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3594794 0.93 POLB (0.35) KMT2AFKBP1AHTR1AALDH1A1MEN1
SCHEMBL3587922 0.90 MAPK1 (0.37) KMT2AKCNJ1HTR1AMAPK1
SCHEMBL3596567 0.89 MAPK1 (0.35) KMT2AKCNJ1FKBP1AALDH1A1MEN1
SCHEMBL3597797 0.88 KCNJ1 (0.34) KMT2AKCNJ1ALDH1A1MEN1NPSR1
SCHEMBL3597793 0.88 KCNJ1 (0.34) KMT2AKCNJ1ALDH1A1MEN1NPSR1
SCHEMBL3590556 0.87 KMT2A (0.38) KMT2AKCNJ1FKBP1AHTR1AALDH1A1
SCHEMBL3593644 0.87 MAPK1 (0.35) KMT2AKCNJ1HTR1AMAPK1
SCHEMBL13254362 0.87 MAPK1 (0.36) KMT2AKCNJ1FKBP1AHTR1AMAPK1
SCHEMBL3597022 0.86 KMT2A (0.39) KMT2AKCNJ1FKBP1AHTR1AALDH1A1
SCHEMBL3597976 0.86 NPSR1 (0.35) KMT2AKCNJ1ALDH1A1MEN1CNR1

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
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
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 KMT2A 4721/4885KCNJ1 1632/4885FKBP1A 3012/4885

“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.