SCHEMBL5311792

SCHEMBL5311792

O=C1NCC=CN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.49
ADRB1 P08588 1/20 0.49
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SCN2A Q99250 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PLEC Q15149 1/20 0.40
CRBN Q96SW2 2/20 0.40
CDC7 O00311 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.38
KAT2B Q92831 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6244514 0.82 HPN (0.50) MAPTPOLBALDH1A1SCN2AMEN1
SCHEMBL4537041 0.75 ALOX5 (0.42) ADRB1MAPTALDH1A1MEN1KMT2A
SCHEMBL4873958 0.74 KDM4E (0.46) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL4709358 0.70 SIRT6 (0.56) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL7560941 0.70 GAA (0.52) MAPTPOLBMEN1KMT2AGAA
SCHEMBL5310568 0.68 SIRT6 (0.53) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL13855677 0.67 MAPT (0.50) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL10929982 0.67 MAPT (0.50) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL3382349 0.67 SIRT6 (0.47) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL5363025 0.67 SIRT6 (0.56) SIRT6ADRB1MAPTPOLBALDH1A1

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.