SCHEMBL3590529

SCHEMBL3590529

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR1A P08908 1/20 0.39
PLA2G4A P47712 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
KCNJ1 P48048 1/20 0.37
AR P10275 1/20 0.37
MCHR1 Q99705 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL3586209 0.91 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2L3MBTL1CYP2C19
SCHEMBL3596201 0.91 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2L3MBTL1CYP2C19
SCHEMBL3600552 0.90 POLB (0.41) ALDH1A1MAPTSMN1; SMN2L3MBTL1HTR1A
SCHEMBL3602035 0.90 PKM (0.42) ALDH1A1MAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL3596480 0.90 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2L3MBTL1PLA2G4A
SCHEMBL3598477 0.90 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2L3MBTL1CYP2C19
SCHEMBL3585815 0.88 POLB (0.46) ALDH1A1MAPTSMN1; SMN2L3MBTL1CYP2C19
SCHEMBL3600571 0.87 MAPT (0.44) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL3587956 0.87 HTR2A (0.49) PLA2G4AKMT2AKDM4E
SCHEMBL3589454 0.87 HTR2A (0.38) PLA2G4A

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.