SCHEMBL3548159

SCHEMBL3548159

COc1cc(C(=O)NCC(C)(C)CN(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
MAPT P10636 2/20 0.58
CYP3A4 P08684 2/20 0.58
HTT P42858 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 7/20 0.44
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
G6PD P11413 1/20 0.42

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
SCHEMBL16982333 0.85 LMNA (0.57) LMNAMAPTCYP3A4HTTCYP1A2
SCHEMBL3538738 0.84 MAPT (0.82) LMNAMAPTCYP3A4HTTCYP1A2
SCHEMBL3541043 0.81 HTR4 (0.45) CYP2D6CYP2C9CYP2C19NPC1RAB9A
SCHEMBL3543581 0.81 PRMT5 (0.59) LMNAMAPTCYP3A4PRMT5WDR77
SCHEMBL4194455 0.81 MAPT (0.75) LMNAMAPTCYP3A4HTTCYP1A2
SCHEMBL3539503 0.80 PRMT5 (0.66) LMNAMAPTPRMT5WDR77NPC1
SCHEMBL3107502 0.80 PRMT5 (0.56) LMNAMAPTCYP3A4HTTCYP1A2
SCHEMBL6990289 0.78 MAPT (0.53) LMNAMAPTCYP3A4NPC1RAB9A
SCHEMBL359110 0.77 PRMT5 (0.60) LMNAMAPTCYP3A4PRMT5WDR77
SCHEMBL309800 0.77 ALDH1A1 (0.53) LMNAMAPTCYP3A4HTTPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 LMNA 1996/4885MAPT 2200/4885CYP3A4 71/4885

“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.