SCHEMBL3600733

SCHEMBL3600733

COc1cc(CCC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccn3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
S1PR3 Q99500 2/20 0.34
CCR5 P51681 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
PLA2G4A P47712 1/20 0.33
GNRHR P30968 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNJ1 P48048 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC5A7 Q9GZV3 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
SCHEMBL3597876 0.94 PTGDR2 (0.35) KMT2AMEN1PKMS1PR3CCR5
SCHEMBL3586655 0.92 BCHE (0.38) KMT2AMEN1CCR5ALDH1A1PLA2G4A
SCHEMBL3600109 0.90 KCNJ1 (0.38) FFAR4KMT2ACCR5ALDH1A1PLA2G4A
SCHEMBL3603337 0.90 BCHE (0.36) KMT2AMEN1CCR5ALDH1A1PLA2G4A
SCHEMBL3589123 0.89 KMT2A (0.37) KMT2AMEN1CCR5ALDH1A1KCNJ1
SCHEMBL3591886 0.89 GPR6 (0.38) FFAR4NPC1PLA2G4ACYP3A4CYP2D6
SCHEMBL13254339 0.89 FFAR4 (0.36) FFAR4KMT2AMEN1S1PR3ALDH1A1
SCHEMBL3597392 0.88 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1PLA2G4AKCNJ1
SCHEMBL3602122 0.87 BCHE (0.38) KMT2AMEN1CCR5PLA2G4AL3MBTL1
SCHEMBL3596388 0.86 SIGMAR1 (0.39) KMT2AMEN1CCR5ALDH1A1KCNJ1

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 FFAR4 56/4885KMT2A 4721/4885MEN1 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.