SCHEMBL4093183

SCHEMBL4093183

CC(C)(C)OC(=O)NC1(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX5 P09917 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
HTR1E P28566 1/20 0.41
S1PR3 Q99500 1/20 0.41
AKT1 P31749 1/20 0.41
PDE2A O00408 1/20 0.40
RORC P51449 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL17109514 0.95 MAPT (0.43) MAPTALDH1A1LMNAPPARGPPARA
SCHEMBL21162018 0.86 MAPT (0.44) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL6679370 0.85 MAPT (0.52) MAPTALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL18551335 0.81 MIF (0.46) MAPK1AKT1PDE2ARORCMEN1
SCHEMBL15524658 0.81 MAPT (0.45) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL2815591 0.81 MAPT (0.48) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL7245271 0.80 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL6678010 0.80 RAB9A (0.50) MAPTALDH1A1LMNASMN1; SMN2ALOX5
SCHEMBL5640967 0.80 AKT1 (0.43) AKT1PDE2ARORC
SCHEMBL2588632 0.80 NPC1 (0.47) SMN1; SMN2NPC1RAB9AAKT1PDE2A

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 MAPT 3755/4885ALDH1A1 1426/4885LMNA 3011/4885

“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.