SCHEMBL5114836

SCHEMBL5114836

O=[N+]([O-])c1cscc1CO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SNCA P37840 2/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GPR35 Q9HC97 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CTSB P07858 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL10939656 0.77 TDP1 (0.42) ALDH1A1TSHRTDP1GPR35ALOX15
SCHEMBL29678067 0.71 SNCA (0.52) ALDH1A1SNCATSHRCA12TDP1
SCHEMBL8149711 0.71
SCHEMBL16022729 0.70 SNCA (0.50) ALDH1A1SNCATSHRCA12TDP1
SCHEMBL68381 0.68 ALDH1A1 (0.70) ALDH1A1TSHRCA12TDP1GPR35
SCHEMBL29699944 0.68 ALDH1A1 (0.70) ALDH1A1TSHRCA12TDP1GPR35
SCHEMBL16289532 0.67
SCHEMBL826681 0.67
SCHEMBL15741276 0.67
SCHEMBL3622560 0.67

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 ALDH1A1 24/4885SNCA 1098/4885TSHR 2066/4885

“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.