SCHEMBL3590556

SCHEMBL3590556

COc1cc(CCC(=O)O)cc(OC)c1OC1CCN(CC(O)(c2cn(-c3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
PLA2G4A P47712 5/20 0.38
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.34
FKBP1A P62942 1/20 0.34
KCNJ1 P48048 1/20 0.33
HTR1A P08908 2/20 0.33
CCR5 P51681 1/20 0.33
HTR1D P28221 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL3597022 0.95 KMT2A (0.39) KMT2APLA2G4AMEN1ALDH1A1FKBP1A
SCHEMBL3603186 0.94 KMT2A (0.39) KMT2APLA2G4AMEN1FKBP1AKCNJ1
SCHEMBL3604779 0.93 POLB (0.36) KMT2APLA2G4AMEN1ALDH1A1MAPK1
SCHEMBL3587922 0.90 MAPK1 (0.37) KMT2AMAPK1KCNJ1HTR1ACCR5
SCHEMBL3596567 0.88 MAPK1 (0.35) KMT2AMEN1ALDH1A1MAPK1FKBP1A
SCHEMBL3592767 0.87 CCR5 (0.36) KMT2APLA2G4AMEN1ALDH1A1MAPK1
SCHEMBL14160082 0.87 PLA2G4A (0.38) KMT2APLA2G4AMEN1FFAR4
SCHEMBL3596823 0.87 KMT2A (0.37) KMT2AMEN1ALDH1A1FKBP1AHTR1A
SCHEMBL3597045 0.87 KMT2A (0.36) KMT2AMEN1ALDH1A1MAPK1FKBP1A
SCHEMBL3592787 0.87 KMT2A (0.37) KMT2AMEN1ALDH1A1FKBP1AHTR1A

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 4721/4885PLA2G4A 2410/4885MEN1 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.