SCHEMBL4264186

SCHEMBL4264186

COC(=O)/C(=C\c1cc(F)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.34
AR P10275 1/20 0.34
SNCA P37840 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
SCHEMBL13878892 1.00 MAPT (0.43) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL4076080 1.00 MAPT (0.43) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL4072166 0.92 MAPT (0.43) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL13878888 0.92 MAPT (0.43) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL4072165 0.92 MAPT (0.43) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL13479086 0.88 MAPT (0.43) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL31179023 0.88 MAPT (0.43) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL14602205 0.85 MAPT (0.62) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL13878881 0.85 MAPT (0.62) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL496007 0.83 NFE2L2 (0.35) MAPTRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2009-04-16 US 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-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PC, GOT2, PDK1 MAPT 3617/4885NPSR1 3018/4885SMN1; SMN2 3651/4885

“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.