SCHEMBL3597146

SCHEMBL3597146

CCOC(=O)CCc1cnc(N2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.40
ALDH1A1 P00352 5/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.36
ABCC1 P33527 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
MAPT P10636 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL3596480 0.91 ALDH1A1 (0.38) METALDH1A1LMNAPDE4APDE4B
SCHEMBL3599621 0.91 ALDH1A1 (0.39) METALDH1A1LMNAPDE4APDE4B
SCHEMBL3596201 0.91 ALDH1A1 (0.41) METALDH1A1LMNACYP3A4ABCC1
SCHEMBL3598946 0.87 ALDH1A1 (0.39) METALDH1A1LMNAPDE4APDE4B
SCHEMBL3596799 0.87 BLM (0.40) ALDH1A1LMNAMAPTL3MBTL1KMT2A
SCHEMBL3592230 0.86 ALDH1A1 (0.40) ALDH1A1LMNAMAPTNPBWR1MCHR1
SCHEMBL3595332 0.84 LGALS1 (0.35) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL3597869 0.84 ALDH1A1 (0.35) ALDH1A1LMNAMAPTKMT2AMAPK1
SCHEMBL3592165 0.84 HTR2A (0.45) ALDH1A1MAPTKMT2AMEN1AGTR1
SCHEMBL3597893 0.84 OPRK1 (0.36) KMT2AMEN1SLC6A4

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 MET 1869/4885ALDH1A1 4118/4885LMNA 4335/4885

“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.