SCHEMBL1023732

SCHEMBL1023732

COc1cc([N+](=O)[O-])ccc1OCC(C)(O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
TTR P02766 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.46
MEN1 O00255 4/20 0.46

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
SCHEMBL1531279 0.90 HTT (0.53) HTTTDP1SMN1; SMN2MAPTNPC1
SCHEMBL2172599 0.86 TTR (0.51) HTTTDP1SMN1; SMN2MAPTNPC1
SCHEMBL2172382 0.85 HTT (0.50) HTTTDP1SMN1; SMN2MAPTNPC1
SCHEMBL16543584 0.81 HTT (0.58) HTTTDP1SMN1; SMN2MAPTNPC1
SCHEMBL2372812 0.79 HTT (0.60) HTTTDP1SMN1; SMN2MAPTNPC1
SCHEMBL2176162 0.79 TDP1 (0.43) HTTTDP1SMN1; SMN2MAPTNPC1
Methyl Alcohol SCHEMBL27770206 0.78 HTT (0.68) HTTTDP1SMN1; SMN2MAPTNPC1
SCHEMBL224123 0.78 TDP1 (0.60) HTTTDP1SMN1; SMN2MAPTNPC1
SCHEMBL527567 0.78 HTT (0.72) HTTTDP1SMN1; SMN2MAPTNPC1
SCHEMBL29441283 0.78 HTT (0.72) HTTTDP1SMN1; SMN2MAPTNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501771-B2 Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2013-08-06 US disclosed
EP-1987006-B1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 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 (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-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, AHR, MCHR2 HTT 969/4885TDP1 4208/4885SMN1; SMN2 2965/4885

“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.