SCHEMBL5256348

SCHEMBL5256348

COc1ccc(CC(=O)O)cc1[N+](=O)[O-].COc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
ALDH1A1 P00352 11/20 0.54
TDP1 Q9NUW8 3/20 0.54
TSHR P16473 2/20 0.54
NFKB1 P19838 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CA5A P35218 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 1/20 0.46
CYP3A4 P08684 1/20 0.46
TTR P02766 1/20 0.45
MAPT P10636 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
SCHEMBL2976618 0.93 GAA (0.60) GAAALDH1A1TDP1TSHRNFKB1
SCHEMBL2976612 0.93 GAA (0.60) GAAALDH1A1TDP1TSHRNFKB1
SCHEMBL5496444 0.87 GAA (0.54) GAAALDH1A1TDP1TSHRNFKB1
SCHEMBL5496450 0.87 GAA (0.54) GAAALDH1A1TDP1TSHRNFKB1
SCHEMBL2234880 0.84 ALDH1A1 (0.56) GAAALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL375443 0.84 ALDH1A1 (0.56) GAAALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL6293793 0.82 ALDH1A1 (0.62) GAAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2593397 0.82 ALDH1A1 (0.60) GAAALDH1A1TDP1TSHRNFKB1
SCHEMBL5673785 0.82 ALDH1A1 (0.60) GAAALDH1A1TDP1TSHRNFKB1
SCHEMBL2742576 0.81 ALDH1A1 (0.62) GAAALDH1A1SMN1; SMN2LMNAHTT

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
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 GAA 3670/4885ALDH1A1 1563/4885TDP1 1980/4885

“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.