SCHEMBL5328889

SCHEMBL5328889

CC(C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
SIRT2 Q8IXJ6 1/20 0.52
CHRNB2 P17787 1/20 0.52
CHRNA5 P30532 1/20 0.52
CHRNA4 P43681 1/20 0.52
CASP3 P42574 1/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
AHR P35869 1/20 0.49
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC2 Q92769 3/20 0.44

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
SCHEMBL16515699 0.83 NPC1 (0.61) MAPTNPC1RAB9ACHRNB2CHRNA5
SCHEMBL27930166 0.80 LMNA (0.49) MAPTNPC1RAB9ASIRT2CHRNB2
SCHEMBL5332219 0.80 MAPT (0.61) MAPTNPC1RAB9ASIRT2CHRNB2
SCHEMBL12126068 0.77 HTT (0.51) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL12188525 0.77 SMN1; SMN2 (0.57) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL8592523 0.77 HTT (0.51) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL11419567 0.77 MAPT (0.52) MAPTNPC1RAB9ASIRT2CHRNB2
SCHEMBL11871592 0.76 MAPT (0.61) MAPTNPC1RAB9ASIRT2CHRNB2
SCHEMBL11166733 0.76 MAPT (0.57) MAPTNPC1RAB9ASIRT2CHRNB2
SCHEMBL5330749 0.76 SIRT2 (0.67) MAPTNPC1RAB9ASIRT2CHRNB2

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 MAPT 3096/4885NPC1 773/4885RAB9A 614/4885

“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.