SCHEMBL3539705

SCHEMBL3539705

O=C(NCCN1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.69
ALDH1A1 P00352 4/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
CYP2C19 P33261 2/20 0.67
HTR1A P08908 1/20 0.63
MAOA P21397 1/20 0.63
MAOB P27338 1/20 0.63
KCNH2 Q12809 1/20 0.63
CD274 Q9NZQ7 1/20 0.63
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
GAA P10253 1/20 0.61
POLB P06746 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL16054002 0.90 LMNA (0.77) LMNAALDH1A1L3MBTL1CYP2C19HTR1A
SCHEMBL28079638 0.88 ALDH1A1 (0.70) LMNAALDH1A1L3MBTL1CYP2C19HTR1A
SCHEMBL2552124 0.84 LMNA (0.72) LMNAALDH1A1L3MBTL1CYP2C19HTR1A
SCHEMBL6573530 0.83 CYP2C19 (0.74) LMNAALDH1A1L3MBTL1CYP2C19HTR1A
SCHEMBL3540546 0.81 CD274 (0.69) LMNAALDH1A1CYP2C19HTR1AMAOA
SCHEMBL28831574 0.81 ALDH1A1 (0.62) LMNAALDH1A1L3MBTL1CYP2C19HTR1A
SCHEMBL7040997 0.81 LMNA (0.69) LMNAALDH1A1L3MBTL1HTR1AMAOA
SCHEMBL11474969 0.80 CYP2C19 (1.00) LMNAALDH1A1L3MBTL1CYP2C19HTR1A
SCHEMBL28024114 0.80 POLB (0.73) LMNAALDH1A1L3MBTL1CYP2C19KMT2A
SCHEMBL30100420 0.79 CYP2C19 (0.54) LMNAALDH1A1CYP2C19KMT2AMEN1

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 4 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-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 1996/4885ALDH1A1 422/4885L3MBTL1 4825/4885

“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.