SCHEMBL3592258

SCHEMBL3592258

O=[N+]([O-])c1ccc2c(C(O)(CN3CCC(Oc4cnccn4)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.37
CNR2 P34972 1/20 0.35
ACHE P22303 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2C9 P11712 1/20 0.34
ROCK1 Q13464 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL3587370 0.92 SCN5A (0.36) SCN9ACNR2ACHEMAPTPKM
SCHEMBL13254303 0.89 CNR2 (0.37) CNR2ACHEMAPTPKMMAPK1
SCHEMBL3598580 0.88 MAPT (0.39) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3601196 0.87 CNR2 (0.36) CNR2ACHEMAPTPKMMAPK1
SCHEMBL3593118 0.85 CNR2 (0.35) SCN9ACNR2ACHEMAPTPKM
SCHEMBL3596752 0.85 ACHE (0.37) CNR2ACHEMAPTPKMMAPK1
SCHEMBL3597467 0.85 ALDH1A1 (0.43) MAPTEPHX2KMT2A
SCHEMBL3598423 0.85 MAPK1 (0.37) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3587731 0.85 MAPK1 (0.39) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3592076 0.85 SIGMAR1 (0.41) ACHEMAPTPKMMAPK1RAB9A

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 2 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
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 SCN9A 897/4885CNR2 1364/4885ACHE 3194/4885

“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.