SCHEMBL3106345

SCHEMBL3106345

CCOC(=O)/C=C/c1cc(Cl)c([N+](=O)[O-])cc1OCc1c(OC)ccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
PREP P48147 1/20 0.42
DPP9 Q86TI2 1/20 0.42
MAPT P10636 2/20 0.40
FDPS P14324 1/20 0.40
ALDH1A1 P00352 4/20 0.39
BACE1 P56817 2/20 0.39
RAB9A P51151 2/20 0.39
EGFR P00533 2/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 1/20 0.36

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
SCHEMBL3106349 1.00 DPP4 (0.42) DPP4PREPDPP9MAPTFDPS
SCHEMBL3107557 0.82 LMNA (0.41) DPP4PREPDPP9MAPTALDH1A1
SCHEMBL3102984 0.81 ALDH1A1 (0.38) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL3099715 0.80 LMNA (0.43) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL3102729 0.79 LMNA (0.43) DPP4PREPDPP9MAPTALDH1A1
SCHEMBL3098693 0.79 POLB (0.41) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL3110238 0.78 LMNA (0.42) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL3109860 0.77 LMNA (0.41) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL3105048 0.76 LMNA (0.40) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL3108223 0.75 GABRA1 (0.43) MAPTALDH1A1RAB9AMEN1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 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-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR DPP4 2948/4885PREP 2947/4885DPP9 3483/4885

“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.