SCHEMBL3549288

SCHEMBL3549288

COc1cc(C(=O)NCCN2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
POLB P06746 1/20 0.59
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 2/20 0.58
SLC5A7 Q9GZV3 1/20 0.56
F10 P00742 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SLC29A1 Q99808 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
TLR9 Q9NR96 1/20 0.50
TLR8 Q9NR97 1/20 0.50
TLR7 Q9NYK1 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL14924433 0.82 SMN1; SMN2 (0.70) SMN1; SMN2POLBKMT2AALDH1A1L3MBTL1
SCHEMBL359110 0.82 PRMT5 (0.60) SMN1; SMN2POLBKMT2AALDH1A1L3MBTL1
SCHEMBL30690819 0.82 LMNA (0.62) SMN1; SMN2POLBKMT2AALDH1A1L3MBTL1
SCHEMBL3542972 0.81 SMN1; SMN2 (0.68) SMN1; SMN2POLBKMT2AALDH1A1L3MBTL1
SCHEMBL13575582 0.81 SMN1; SMN2 (0.67) SMN1; SMN2POLBKMT2ASLC5A7F10
SCHEMBL14221021 0.81 SMN1; SMN2 (0.67) SMN1; SMN2POLBKMT2AALDH1A1L3MBTL1
SCHEMBL14924111 0.80 SMN1; SMN2 (0.65) SMN1; SMN2POLBKMT2AALDH1A1L3MBTL1
SCHEMBL3107502 0.80 PRMT5 (0.56) POLBKMT2AALDH1A1LMNANPSR1
SCHEMBL3543581 0.79 PRMT5 (0.59) SMN1; SMN2POLBALDH1A1L3MBTL1LMNA
SCHEMBL13175532 0.79 SMN1; SMN2 (0.65) SMN1; SMN2POLBKMT2AALDH1A1L3MBTL1

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 5 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-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 SMN1; SMN2 1059/4885POLB 3906/4885KMT2A 4680/4885

“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.