SCHEMBL3592261

SCHEMBL3592261

O=C(O)Cn1cc2c(n1)CCN(CC(O)(c1cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc13)C(F)(F)F)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MET P08581 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
ACHE P22303 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13254268 0.91 MET (0.38) ITGB3ITGA2BMETSMN1; SMN2PDE4A
SCHEMBL14159983 0.89 ITGB3 (0.37) ITGB3ITGA2BMETSMN1; SMN2ACHE
SCHEMBL3600018 0.83 PRMT5 (0.38) SMN1; SMN2ACHEALDH1A1LMNAHTT
SCHEMBL3595467 0.82 ALDH1A1 (0.37) SMN1; SMN2ACHEALDH1A1KDM4EMAPK1
SCHEMBL3591436 0.82 ALDH1A1 (0.35) SMN1; SMN2ACHEALDH1A1LMNAKDM4E
SCHEMBL3602665 0.82 PLA2G4A (0.38) SMN1; SMN2ACHEALDH1A1LMNAKDM4E
SCHEMBL3594405 0.82 ACHE (0.34) SMN1; SMN2ACHEPDE4APDE4BPDE4C
SCHEMBL3598200 0.82 KAT2B (0.38) SMN1; SMN2ACHEALDH1A1LMNAKDM4E
SCHEMBL3604171 0.81 ABCB1 (0.43) SMN1; SMN2ALDH1A1LMNAHTTMAPK1
SCHEMBL3597957 0.81 PSEN1 (0.40) ITGB3ITGA2BACHE

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 ITGB3 2759/4885ITGA2B 3062/4885MET 1869/4885

“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.