SCHEMBL5314844

SCHEMBL5314844

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.64
KMT2A Q03164 9/20 0.63
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MEN1 O00255 5/20 0.62
POLB P06746 2/20 0.62
GAA P10253 2/20 0.62
HTT P42858 1/20 0.60
LMNA P02545 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
PKM P14618 1/20 0.58
RECQL P46063 1/20 0.56

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
SCHEMBL5314839 1.00 MAPT (0.64) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL5313730 0.83 NPC1 (0.63) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL5313736 0.83 NPC1 (0.63) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL17673783 0.83 NPC1 (0.63) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL16690183 0.82 MAPT (0.46) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL16690172 0.82 MAPK1 (0.47) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL16690249 0.80 CES1 (0.47) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL5308305 0.79 KMT2A (0.70) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL5308301 0.79 KMT2A (0.70) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL27772048 0.78 TDP1 (0.60) MAPTKMT2AALDH1A1SMN1; SMN2MEN1

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 3096/4885KMT2A 2880/4885ALDH1A1 1546/4885

“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.