SCHEMBL3593083

SCHEMBL3593083

O=C(O)CCCOc1ccc2c(c1)CCN(CC(O)(c1cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc13)C(F)(F)F)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.40
MOGAT2 Q3SYC2 6/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ACACB O00763 3/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34
HTR6 P50406 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
SCHEMBL13254290 0.94 MOGAT2 (0.38) MOGAT2HRH3ACACB
SCHEMBL3597957 0.93 PSEN1 (0.40) MOGAT2ACACBOPRM1OPRD1OPRK1
SCHEMBL3595537 0.89 S1PR5 (0.42) PLA2G2A
SCHEMBL13254288 0.89 FAAH (0.38) MOGAT2ACACBOPRM1OPRD1OPRK1
SCHEMBL3602665 0.88 PLA2G4A (0.38) KDM4EALDH1A1MAPK1DRD2
SCHEMBL3598804 0.87 ACACB (0.37) ACACBOPRM1OPRD1OPRK1DRD2
SCHEMBL3598806 0.87 ACACB (0.37) ACACBOPRM1OPRD1OPRK1DRD2
SCHEMBL3604171 0.83 ABCB1 (0.43) ALDH1A1MAPK1
SCHEMBL3602945 0.83 ALDH1A1 (0.34) MEN1ALDH1A1MAPK1KMT2A
SCHEMBL3589259 0.82 ALDH1A1 (0.35) PLA2G2AHRH3ALDH1A1MAPK1KMT2A

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 5 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
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 PLA2G2A 3533/4885MOGAT2 3834/4885HRH3 832/4885

“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.