SCHEMBL3591306

SCHEMBL3591306

CCOC(=O)CCNCC(O)(c1cn(Cc2ccccc2)c2cc([N+](=O)[O-])ccc12)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 1/20 0.38
AR P10275 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
KAT2B Q92831 1/20 0.36
PLA2G2A P14555 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36
ELANE P08246 1/20 0.36
S1PR3 Q99500 1/20 0.36
MEN1 O00255 2/20 0.35

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
SCHEMBL3600743 0.95 MAPT (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3602674 0.95 ALDH1A1 (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3596511 0.93 AR (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13254113 0.88 F2RL3 (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3583209 0.87 ALDH1A1 (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13254112 0.87 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13254404 0.86 MEN1 (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3591505 0.86 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3595097 0.86 KMT2A (0.41) ALDH1A1KMT2AMAPTKAT2BLMNA
SCHEMBL3599385 0.85 NPC1 (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1

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 PDE4A 2378/4885PDE4B 1999/4885PDE4C 3525/4885

“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.