SCHEMBL3598946

SCHEMBL3598946

O=C(O)c1cnc(N2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.37
CHRM4 P08173 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MET P08581 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL3592230 0.92 ALDH1A1 (0.40) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL3596480 0.91 ALDH1A1 (0.38) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL3599621 0.91 ALDH1A1 (0.39) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL3586247 0.88 ALDH1A1 (0.41) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL3605875 0.87 PRKAA2 (0.45) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL3597146 0.87 MET (0.40) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL3586209 0.87 ALDH1A1 (0.40) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL3594430 0.86 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL3601221 0.85 MAPT (0.45) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL3597467 0.85 ALDH1A1 (0.43) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1

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 ALDH1A1 4118/4885MAPT 4708/4885NPBWR1 549/4885

“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.