SCHEMBL4220072

SCHEMBL4220072

O=[N+]([O-])c1ccc2c(c1)c(-c1ccc(F)c(OCCO)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 6/20 0.40
ACHE P22303 3/20 0.39
CNR1 P21554 2/20 0.39
F2RL3 Q96RI0 4/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
F2R P25116 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BTK Q06187 1/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 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
SCHEMBL4226228 0.91 L3MBTL1 (0.44) L3MBTL1CNR2ACHECNR1F2RL3
SCHEMBL4225912 0.87 L3MBTL1 (0.46) L3MBTL1CNR2ACHECNR1F2RL3
SCHEMBL4226231 0.84 F2RL3 (0.45) L3MBTL1CNR2ACHECNR1F2RL3
SCHEMBL3152170 0.84 ALOX5AP (0.36) CNR2ACHECNR1BTK
SCHEMBL4231756 0.84 L3MBTL1 (0.48) L3MBTL1CNR2ACHECNR1F2RL3
SCHEMBL3148284 0.83 MAPT (0.45) L3MBTL1F2RL3MAPTMEN1KMT2A
SCHEMBL3152785 0.82 L3MBTL1 (0.51) L3MBTL1CNR2ACHECNR1F2RL3
SCHEMBL13855004 0.82 L3MBTL1 (0.56) L3MBTL1CNR2ACHECNR1F2RL3
SCHEMBL3139841 0.82 L3MBTL1 (0.48) L3MBTL1CNR2ACHECNR1F2RL3
SCHEMBL3142933 0.81 F2RL3 (0.46) L3MBTL1CNR2ACHECNR1F2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 L3MBTL1 3535/4885CNR2 3806/4885ACHE 3550/4885

“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.