SCHEMBL5314843

SCHEMBL5314843

CCC(=O)ONC(=N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ESR1 P03372 1/20 0.47
CYP19A1 P11511 1/20 0.47
ESR2 Q92731 1/20 0.47
CES1 P23141 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL5313733 0.83 MAPK1 (0.56) MAPTNPC1KMT2ASMN1; SMN2TSHR
SCHEMBL5778212 0.82 MAPK1 (0.50) MAPTNPC1RAB9AKMT2ASMN1; SMN2
Potassium Ion SCHEMBL3225175 0.80 CA1 (0.53) KMT2ATSHRMAPK1CES1ALDH1A1
SCHEMBL5308303 0.79 MAPK1 (0.47) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27999122 0.77 MAPT (0.56) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10592367 0.76 ALDH1A1 (0.49) MAPTRAB9AMAPK1ALDH1A1GAA
SCHEMBL7061365 0.75 MAPK1 (0.53) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8348890 0.74 TSHR (0.55) KMT2ATSHRMAPK1CES1ALDH1A1
SCHEMBL28517308 0.74 MAPK1 (0.55) MAPTNPC1KMT2ASMN1; SMN2TSHR
SCHEMBL5314839 0.73 MAPT (0.64) MAPTNPC1RAB9AKMT2ASMN1; SMN2

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.