SCHEMBL5329166

SCHEMBL5329166

COCc1noc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 4/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA5 P30532 1/20 0.49
CHRNA4 P43681 1/20 0.49
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP3 P42574 1/20 0.42
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP13 P45452 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
CXCR1 P25024 1/20 0.41

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
SCHEMBL7566386 0.81 MAPT (0.57) MAPTNPC1RAB9AALDH1A1CHRNB2
SCHEMBL8825635 0.81 NOTUM (0.60) MAPTNPC1RAB9AALDH1A1CHRNB2
SCHEMBL5334470 0.78 ACHE (0.56) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL2094070 0.77 NOTUM (0.62) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL5330904 0.76 MAPT (0.61) MAPTNPC1RAB9AALDH1A1CHRNB2
SCHEMBL27832066 0.75 NPC1 (0.68) MAPTNPC1RAB9AALDH1A1CHRNB2
SCHEMBL16592646 0.75 NPC1 (0.68) MAPTNPC1RAB9AALDH1A1CHRNB2
SCHEMBL5469179 0.75 MAPT (0.70) MAPTNPC1RAB9AALDH1A1CHRNB2
SCHEMBL6582079 0.73 MAPT (0.61) MAPTNPC1RAB9AALDH1A1CHRNB2
SCHEMBL8399931 0.73 NPC1 (0.48) MAPTNPC1RAB9AALDH1A1CHRNB2

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.