SCHEMBL3605255

SCHEMBL3605255

CC(Oc1ccccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
ALOX5 P09917 1/20 0.36
MAOA P21397 1/20 0.36
CCR5 P51681 1/20 0.35
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
ABCB1 P08183 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 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
SCHEMBL3600038 1.00 ACHE (0.36) ACHEBCHEALOX5MAOACCR5
SCHEMBL3598051 0.94 ALDH1A1 (0.37) ACHEBCHEALOX5MAOACCR5
SCHEMBL3587915 0.90 MAPK1 (0.41) CCR5MAPK1MAPTPKMRAB9A
SCHEMBL4717091 0.90 ACHE (0.35) ACHEBCHEALOX5MAOAMAPK1
SCHEMBL13282419 0.89 ACHE (0.34) ACHEBCHEALOX5MAOACCR5
SCHEMBL4717089 0.88 ACHE (0.35) ACHEBCHEALOX5MAOAMAPK1
SCHEMBL3595992 0.88 ACHE (0.36) ACHEBCHEALOX5MAOAMAPK1
SCHEMBL13254351 0.88 ACHE (0.37) ACHEBCHEALOX5MAOAMAPK1
SCHEMBL3596752 0.88 ACHE (0.37) ACHEBCHEALOX5MAOAMAPK1
SCHEMBL3598423 0.88 MAPK1 (0.37) ACHEBCHEALOX5MAOAMAPK1

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 1 patent. 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

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 3194/4885BCHE 3002/4885ALOX5 1022/4885

“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.