SCHEMBL14226902

SCHEMBL14226902

O=C(O)c1cc(S)ccc1N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ KDM4E B2RXH2 5/20 0.53
▸ PKM P14618 1/20 0.52
▸ GAA P10253 3/20 0.50
▸ POLB P06746 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ YWHAG P61981 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ IP6K1 Q92551 1/20 0.44
▸ HPGD P15428 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
SCHEMBL14226837 0.84 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2KDM4EPKMGAA
SCHEMBL14226901 0.81 KDM4E (0.58) ALDH1A1SMN1; SMN2KDM4EGAAPOLB
SCHEMBL29930952 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4EPKMGAA
SCHEMBL11167415 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4EPKMGAA
SCHEMBL6644223 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4EPKMGAA
SCHEMBL23611740 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4EPKMGAA
SCHEMBL11163688 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4EPKMGAA
SCHEMBL11610621 0.80 HTT (0.77) ALDH1A1SMN1; SMN2KDM4EPKMGAA
SCHEMBL6254176 0.80 HTT (0.77) ALDH1A1SMN1; SMN2KDM4EPKMGAA
SCHEMBL6643354 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 — — 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-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors SLC6A7, SLC6A5, SLC1A2 ALDH1A1 1381/4885SMN1; SMN2 3532/4885KDM4E 2626/4885

“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.

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