SCHEMBL3596752

SCHEMBL3596752

O=[N+]([O-])c1ccc2c(C(O)(CN3CCC(Oc4ccccc4OCc4ccccc4)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
BCHE P06276 2/20 0.35
ALOX5 P09917 1/20 0.35
MAOA P21397 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL13254351 0.93 ACHE (0.37) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3587915 0.92 MAPK1 (0.41) MAPTPKMMAPK1RAB9AMEN1
SCHEMBL16327042 0.92 HRH2 (0.36) ACHECNR2MAPTPKMMAPK1
SCHEMBL3598423 0.91 MAPK1 (0.37) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3587731 0.91 MAPK1 (0.39) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL13254253 0.90 ACHE (0.36) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL4717091 0.90 ACHE (0.35) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3598580 0.90 MAPT (0.39) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3595992 0.89 ACHE (0.36) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL4717089 0.89 ACHE (0.35) 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 3 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
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 ACHE 3194/4885CNR2 1364/4885CNR1 582/4885

“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.