SCHEMBL8094959

SCHEMBL8094959

[2H]C([2H])([2H])Oc1cc(C(=O)O)c([N+](=O)[O-])cc1OC([2H])([2H])[2H]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.48
HTT P42858 1/20 0.48
PKM P14618 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
DTYMK P23919 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL31549975 0.88 PKM (0.59) LMNAPOLBHTTPKML3MBTL1
SCHEMBL375897 0.88 PKM (0.59) LMNAPOLBHTTPKML3MBTL1
Methyl Alcohol SCHEMBL27781670 0.87 PKM (0.58) LMNAPOLBHTTPKML3MBTL1
SCHEMBL31151917 0.85 CTSV (0.53) LMNAPOLBL3MBTL1KDM4EMAPT
SCHEMBL8094915 0.84 POLB (0.52) LMNAPOLBHTTPKML3MBTL1
SCHEMBL3663221 0.83 POLB (0.54) LMNAPOLBHTTPKML3MBTL1
Methacrylic Acid SCHEMBL28701003 0.81 PKM (0.52) LMNAPOLBHTTPKML3MBTL1
SCHEMBL3698713 0.81 PKM (0.52) LMNAPOLBHTTPKML3MBTL1
SCHEMBL23734428 0.80 PKM (0.51) LMNAPOLBHTTPKML3MBTL1
SCHEMBL2610746 0.80 POLB (0.54) LMNAPOLBHTTPKML3MBTL1

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-20090062299-A1 DEUTERIUM-ENRICHED DOXAZOSIN PROTIA, LLC (US) 2009-03-05 US disclosed
US-20080039473-A1 PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS AUSPEX PHARMACEUTICALS, INC. (US) 2008-02-14 US 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 (2 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-20090062299-A1 DEUTERIUM-ENRICHED DOXAZOSIN REN, ADRA1D, QDPR LMNA 751/4885POLB 2968/4885HTT 1194/4885
US-20080039473-A1 PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS ADRB1, ADRB2, ADRB3 LMNA 972/4885POLB 2328/4885HTT 4597/4885

“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.