SCHEMBL3587370

SCHEMBL3587370

O=[N+]([O-])c1ccc2c(C(O)(CN3CCC(Oc4ccccn4)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.36
SCN9A Q15858 3/20 0.36
CNR2 P34972 1/20 0.36
ACHE P22303 3/20 0.36
BCHE P06276 1/20 0.36
ALOX5 P09917 1/20 0.36
MAOA P21397 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ROCK1 Q13464 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL13254303 0.93 CNR2 (0.37) CNR2ACHEBCHEALOX5MAOA
SCHEMBL3592258 0.92 SCN9A (0.37) SCN9ACNR2ACHEMAPTPKM
SCHEMBL3598580 0.90 MAPT (0.39) ACHEBCHEALOX5MAOAMAPT
SCHEMBL3601196 0.87 CNR2 (0.36) CNR2ACHEBCHEALOX5MAOA
SCHEMBL3596752 0.87 ACHE (0.37) CNR2ACHEBCHEALOX5MAOA
SCHEMBL3598423 0.87 MAPK1 (0.37) ACHEBCHEALOX5MAOAMAPT
SCHEMBL3592076 0.87 SIGMAR1 (0.41) ACHEBCHEALOX5MAOAMAPT
SCHEMBL3587731 0.87 MAPK1 (0.39) ACHEBCHEALOX5MAOAMAPT
SCHEMBL3589423 0.86 MAOA (0.39) ACHEMAOAMAPTPKMMAPK1
SCHEMBL3587915 0.86 MAPK1 (0.41) MAPTPKMMAPK1RAB9ASIGMAR1

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 4 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

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 SCN5A 1662/4885SCN9A 897/4885CNR2 1364/4885

“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.