SCHEMBL3602665

SCHEMBL3602665

O=C(O)CCc1ccc2c(c1)CCN(CC(O)(c1cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc13)C(F)(F)F)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.38
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
KCNJ1 P48048 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 1/20 0.33
AKR1C3 P42330 1/20 0.33
KDM4E B2RXH2 2/20 0.33
YES1 P07947 1/20 0.33
KDR P35968 1/20 0.33
JAK3 P52333 1/20 0.33
DRD2 P14416 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 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
SCHEMBL3602945 0.91 ALDH1A1 (0.34) ABCB1ABCG2ALDH1A1MAPTMAPK1
SCHEMBL3593083 0.88 PLA2G2A (0.40) ALDH1A1MAPK1KDM4EDRD2
SCHEMBL3597957 0.87 PSEN1 (0.40) ACHEAKR1C3
SCHEMBL3598804 0.85 ACACB (0.37) DRD2
SCHEMBL3598806 0.85 ACACB (0.37) DRD2
SCHEMBL3604171 0.85 ABCB1 (0.43) ABCB1ABCG2ALDH1A1MAPTMAPK1
SCHEMBL3590529 0.85 ALDH1A1 (0.45) PLA2G4AKCNJ1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13254288 0.84 FAAH (0.38) ALDH1A1SMN1; SMN2GAAACHELMNA
SCHEMBL3602035 0.83 PKM (0.42) PLA2G4AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13254290 0.83 MOGAT2 (0.38)

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 PLA2G4A 2410/4885ABCB1 2582/4885ABCG2 1850/4885

“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.