SCHEMBL3601196

SCHEMBL3601196

O=[N+]([O-])c1ccc2c(C(O)(CN3CCC(Oc4ncc(Br)cn4)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
ACHE P22303 3/20 0.34
BCHE P06276 1/20 0.34
ALOX5 P09917 1/20 0.34
MAOA P21397 1/20 0.34
HMOX1 P09601 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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) CNR2MAPK1MAPTPKMRAB9A
SCHEMBL3598580 0.88 MAPT (0.39) MAPK1MAPTPKMRAB9AACHE
SCHEMBL3587370 0.87 SCN5A (0.36) CNR2MAPK1MAPTPKMRAB9A
SCHEMBL3592258 0.87 SCN9A (0.37) CNR2MAPK1MAPTPKMRAB9A
SCHEMBL3596752 0.86 ACHE (0.37) CNR2MAPK1MAPTPKMRAB9A
SCHEMBL3592076 0.85 SIGMAR1 (0.41) MAPK1MAPTPKMRAB9AACHE
SCHEMBL3598423 0.85 MAPK1 (0.37) MAPK1MAPTPKMRAB9AACHE
SCHEMBL3587731 0.85 MAPK1 (0.39) MAPK1MAPTPKMRAB9AACHE
SCHEMBL3589423 0.85 MAOA (0.39) MAPK1MAPTPKMRAB9AACHE
SCHEMBL3587915 0.85 MAPK1 (0.41) 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 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 CNR2 1364/4885MAPK1 703/4885MAPT 4708/4885

“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.