SCHEMBL5330749

SCHEMBL5330749

CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.67
LMNA P02545 3/20 0.60
MAPT P10636 3/20 0.60
HTT P42858 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
HDAC2 Q92769 4/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC8 Q9BY41 3/20 0.56
MAPK1 P28482 1/20 0.53
ACACB O00763 1/20 0.52
ACACA Q13085 1/20 0.52
CASP3 P42574 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GSTP1 P09211 3/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA5 P30532 1/20 0.49
CHRNA4 P43681 1/20 0.49

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
SCHEMBL17978611 0.86 SIRT2 (0.76) SIRT2LMNAMAPTHTTL3MBTL1
SCHEMBL10936153 0.85 SIRT2 (0.67) SIRT2LMNAMAPTHTTL3MBTL1
SCHEMBL5469179 0.84 MAPT (0.70) SIRT2LMNAMAPTHTTL3MBTL1
SCHEMBL15379266 0.84 SIRT2 (0.62) SIRT2LMNAMAPTHTTL3MBTL1
SCHEMBL27035160 0.84 SIRT2 (0.58) SIRT2LMNAMAPTHTTL3MBTL1
SCHEMBL14541674 0.83 SMN1; SMN2 (0.67) SIRT2LMNAMAPTHTTL3MBTL1
SCHEMBL3832953 0.80 HDAC2 (0.59) SIRT2LMNAMAPTHTTL3MBTL1
SCHEMBL14408440 0.80 SIRT2 (0.54) SIRT2LMNAMAPTHTTL3MBTL1
SCHEMBL5332219 0.80 MAPT (0.61) SIRT2LMNAMAPTHTTL3MBTL1
SCHEMBL5717586 0.79 TSHR (0.67) SIRT2LMNAMAPTHTTL3MBTL1

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 SIRT2 2565/4885LMNA 1266/4885MAPT 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.