SCHEMBL3597022

SCHEMBL3597022

COc1ccc(-n2cc(C(O)(CN3CCC(Oc4c(OC)cc(CCC(=O)O)cc4OC)CC3)C(F)(F)F)c3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
FFAR4 Q5NUL3 1/20 0.37
PLA2G4A P47712 5/20 0.35
MEN1 O00255 2/20 0.34
GFER P55789 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 1/20 0.34
HTR1A P08908 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
TDP2 O95551 1/20 0.32
ACHE P22303 1/20 0.32
KCNJ1 P48048 1/20 0.32
FKBP1A P62942 1/20 0.32
PTPN11 Q06124 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
SCHEMBL3590556 0.95 KMT2A (0.38) KMT2AFFAR4PLA2G4AMEN1ALDH1A1
SCHEMBL3603186 0.94 KMT2A (0.39) KMT2AFFAR4PLA2G4AMEN1MAPT
SCHEMBL3596823 0.93 KMT2A (0.37) KMT2AMEN1GFERALDH1A1MAPT
SCHEMBL14160030 0.89 KMT2A (0.33) KMT2AMEN1GFERALDH1A1MAPT
SCHEMBL3604779 0.88 POLB (0.36) KMT2APLA2G4AMEN1ALDH1A1MAPT
SCHEMBL3592787 0.87 KMT2A (0.37) KMT2AMEN1ALDH1A1MAPTHTR1A
SCHEMBL3587922 0.86 MAPK1 (0.37) KMT2AHTR1AACHEKCNJ1
SCHEMBL3597045 0.86 KMT2A (0.36) KMT2AMEN1ALDH1A1HTR1AKCNJ1
SCHEMBL3596567 0.84 MAPK1 (0.35) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3589123 0.84 KMT2A (0.37) KMT2AMEN1ALDH1A1MAPTKDM4E

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 4721/4885FFAR4 56/4885PLA2G4A 2410/4885

“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.