SCHEMBL3598233

SCHEMBL3598233

Cc1coc(NCC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
P2RX7 Q99572 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G2A P14555 1/20 0.35
S1PR3 Q99500 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NR1I2 O75469 1/20 0.33
CA1 P00915 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
SCHEMBL3591565 0.87 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DP2RX7
SCHEMBL3591550 0.85 MAPT (0.42) PDE4APDE4BPDE4CPDE4DP2RX7
SCHEMBL3603757 0.85 ALDH1A1 (0.38) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL3603046 0.83 ALDH1A1 (0.38) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL3593102 0.83 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL3598154 0.82 KMT2A (0.38) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL13254113 0.81 F2RL3 (0.42) PDE4APDE4BPDE4CPDE4DP2RX7
SCHEMBL13254121 0.81 KMT2A (0.39) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL3603384 0.81 L3MBTL1 (0.42) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL3603503 0.81 MEN1 (0.44) P2RX7KMT2AMEN1GAAL3MBTL1

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.