SCHEMBL5116443

SCHEMBL5116443

O=[N+]([O-])c1cncc(CO)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
TTR P02766 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.38
GLA P06280 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ATM Q13315 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL7674650 0.82 TSHR (0.39) GAATSHRHTTSMN1; SMN2MAPT
SCHEMBL28094372 0.81 POLB (0.44) GAATSHRHTTSMN1; SMN2MAPT
SCHEMBL12466487 0.81 SMN1; SMN2 (0.38) GAATSHRHTTSMN1; SMN2MAPT
SCHEMBL287221 0.79 SMN1; SMN2 (0.37) GAATSHRHTTSMN1; SMN2MAPT
SCHEMBL5252228 0.79 CYP19A1 (0.55) TSHRHTTSMN1; SMN2ALDH1A1CYP19A1
SCHEMBL3717744 0.78 SMN1; SMN2 (0.36) GAATSHRHTTSMN1; SMN2MAPT
SCHEMBL561018 0.77 CYP19A1 (0.48) TSHRHTTTTRSMN1; SMN2MAPT
SCHEMBL716259 0.77 CYP19A1 (0.54) TSHRHTTTTRSMN1; SMN2MAPT
SCHEMBL24534037 0.77 ALDH1A1 (0.39) GAATSHRHTTSMN1; SMN2MAPT
SCHEMBL14782135 0.75 POLB (0.49) TSHRSMN1; SMN2MAPTALDH1A1KDM4E

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-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 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-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 GAA 4683/4885TSHR 2066/4885HTT 1973/4885

“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.