SCHEMBL3586247

SCHEMBL3586247

O=[N+]([O-])c1ccc2c(C(O)(CN3CCN(c4ncc(N5CCOCC5)cn4)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MET P08581 3/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 2/20 0.38
MAPT P10636 2/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PAX8 Q06710 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
SLC6A9 P48067 2/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A5 Q9Y345 1/20 0.35

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
SCHEMBL3600408 0.90 KCNJ1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19KCNJ1
SCHEMBL3592230 0.89 ALDH1A1 (0.40) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL3586209 0.89 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL3598946 0.88 ALDH1A1 (0.39) ALDH1A1METMAPTNPBWR1MCHR1
SCHEMBL3596480 0.87 ALDH1A1 (0.38) ALDH1A1METKCNJ1MAPTNPBWR1
SCHEMBL3585815 0.87 POLB (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL3600552 0.86 POLB (0.41) ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL3599621 0.84 ALDH1A1 (0.39) ALDH1A1METKCNJ1KCNH2MAPT
SCHEMBL3594430 0.84 ALDH1A1 (0.44) ALDH1A1CYP2C19KCNJ1MAPTL3MBTL1
SCHEMBL3600571 0.83 MAPT (0.44) ALDH1A1MAPTL3MBTL1KMT2A

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 4 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

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 ALDH1A1 4118/4885CYP3A4 274/4885CYP2C9 424/4885

“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.