SCHEMBL3606658

SCHEMBL3606658

O=C(O)C1CCN(c2ccc(C(=O)N3CCN(CC(O)(c4cn(Cc5ccccc5)c5cc([N+](=O)[O-])ccc45)C(F)(F)F)CC3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRKAA2 P54646 6/20 0.40
SERPINE1 P05121 3/20 0.38
SFRP1 Q8N474 2/20 0.38
PKM P14618 2/20 0.37
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
SCD O00767 1/20 0.37
CHRM4 P08173 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3597524 0.93 ALDH1A1 (0.42) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL3600686 0.89 ADRA1A (0.41) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL3600681 0.89 ADRA1A (0.41) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL3600683 0.89 ADRA1A (0.41) ALDH1A1MAPTNPBWR1MCHR1L3MBTL1
SCHEMBL3590840 0.86 ACHE (0.40) MAPTSERPINE1PKM
SCHEMBL3592162 0.85 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1PKMKMT2A
SCHEMBL3605875 0.84 PRKAA2 (0.45) ALDH1A1MAPTL3MBTL1PRKAA2PKM
SCHEMBL3589492 0.84 ALDH1A1 (0.47) ALDH1A1MAPTPKMKMT2ANPSR1
SCHEMBL13254282 0.84 SFRP1 (0.35) ALDH1A1MAPTL3MBTL1PRKAA2SFRP1
SCHEMBL3596012 0.84 SLC2A1 (0.41) ALDH1A1MAPTMCHR1L3MBTL1

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.