SCHEMBL3587731

SCHEMBL3587731

O=[N+]([O-])c1ccc2c(C(O)(CN3CCC(Oc4ccccc4O)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 4/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ACHE P22303 4/20 0.35
BCHE P06276 2/20 0.35
ALOX5 P09917 1/20 0.35
MAOA P21397 1/20 0.35
BACE1 P56817 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL3598423 0.93 MAPK1 (0.37) MAPK1MAPTPKMRAB9ASIGMAR1
SCHEMBL3587915 0.92 MAPK1 (0.41) MAPK1MAPTPKMRAB9ASIGMAR1
SCHEMBL3596752 0.91 ACHE (0.37) MAPK1MAPTPKMRAB9AACHE
SCHEMBL14160073 0.91 SIGMAR1 (0.37) MAPK1MAPTPKMRAB9ASIGMAR1
SCHEMBL3598580 0.91 MAPT (0.39) MAPK1MAPTPKMRAB9ASIGMAR1
SCHEMBL13254351 0.90 ACHE (0.37) MAPK1MAPTPKMRAB9ASIGMAR1
SCHEMBL4717091 0.90 ACHE (0.35) MAPK1MAPTPKMRAB9ASIGMAR1
SCHEMBL3592076 0.90 SIGMAR1 (0.41) MAPK1MAPTPKMRAB9ASIGMAR1
SCHEMBL4717089 0.89 ACHE (0.35) MAPK1MAPTPKMRAB9ASIGMAR1
SCHEMBL3596933 0.89 PTGDR (0.39) MAPK1MAPTPKMRAB9ASIGMAR1

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 MAPK1 703/4885MAPT 4708/4885PKM 4269/4885

“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.