SCHEMBL3596201

SCHEMBL3596201

CCOC(=O)CCc1ccc(N2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MET P08581 1/20 0.39
LMNA P02545 2/20 0.39
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A4 P31645 1/20 0.37
KMT2A Q03164 2/20 0.36
HTR1A P08908 2/20 0.36
CYP3A4 P08684 1/20 0.35
ABCC1 P33527 1/20 0.35
MEN1 O00255 1/20 0.35
CHRM5 P08912 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR1B P28222 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
SCHEMBL3590529 0.91 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL3592754 0.91 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL3596799 0.91 BLM (0.40) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL3597146 0.91 MET (0.40) ALDH1A1MAPTL3MBTL1METLMNA
SCHEMBL3595332 0.88 LGALS1 (0.35) ALDH1A1MAPTLMNAHTTSLC6A4
SCHEMBL3592165 0.88 HTR2A (0.45) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL3597869 0.88 ALDH1A1 (0.35) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL3586209 0.87 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL3602945 0.86 ALDH1A1 (0.34) ALDH1A1MAPTMETLMNAHTT
SCHEMBL3600571 0.86 MAPT (0.44) ALDH1A1MAPTL3MBTL1LMNAKMT2A

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 4708/4885SMN1; SMN2 4722/4885

“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.