SCHEMBL5310568

SCHEMBL5310568

O=C1NCCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.53
ADRB1 P08588 1/20 0.53
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.44
CRBN Q96SW2 2/20 0.43
SCN2A Q99250 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PLEC Q15149 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL4709358 0.90 SIRT6 (0.56) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL22551116 0.82 HPN (0.50) MAPTALDH1A1LMNASCN2AMEN1
SCHEMBL14491992 0.78 DDB1 (0.53) MAPTALDH1A1POLBLMNACRBN
SCHEMBL4471542 0.77 ALDH1A1 (0.46) MAPTALDH1A1POLBLMNAMEN1
SCHEMBL3641871 0.77 POLB (0.43) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL29929946 0.77 MEN1 (0.56) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL77999 0.77 MEN1 (0.56) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL2300461 0.77 ALDH1A1 (0.48) SIRT6ADRB1MAPTALDH1A1POLB
SCHEMBL8286230 0.76 SMN1; SMN2 (0.54) ADRB1MAPTALDH1A1POLBLMNA
SCHEMBL1259982 0.76 ALDH1A1 (0.46) MAPTALDH1A1POLBLMNA

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-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 WO 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-20070135442-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 SIRT6 3566/4885ADRB1 238/4885MAPT 3096/4885

“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.