SCHEMBL5717707

SCHEMBL5717707

Cc1nnc(SCC(=O)Nc2nc(CC(N)=O)cs2)s1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.71
▸ GLA P06280 1/20 0.71
▸ LMNA P02545 2/20 0.66
▸ MAPT P10636 5/20 0.57
▸ GAA P10253 1/20 0.57
▸ POLB P06746 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ HPGD P15428 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL5717639 0.77 ALDH1A1 (0.56) LMNAMAPTGAAPOLBHTT
SCHEMBL5717595 0.73 KMT2A (0.55) TSHRLMNAMAPTGAAPOLB
SCHEMBL11522387 0.72 GAA (0.71) LMNAMAPTGAAPOLBHTT
SCHEMBL22051693 0.70 GAA (0.59) TSHRGLALMNAMAPTGAA
SCHEMBL28030672 0.69 CSNK2A1 (0.48) MAPTGAAPOLBSMN1; SMN2KMT2A
SCHEMBL24101683 0.67 MEN1 (0.61) LMNAMAPTGAAPOLBHTT
SCHEMBL1514790 0.67 KMT2A (0.64) TSHRLMNAMAPTGAAPOLB
SCHEMBL5544014 0.67 SMN1; SMN2 (0.57) LMNAMAPTGAAPOLBHTT
SCHEMBL5717756 0.67 ALDH1A1 (0.58) LMNAMAPTGAAPOLBHTT
SCHEMBL29557286 0.66 SIRT1 (0.53) TSHRLMNAGAAHTTSMN1; SMN2

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-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 — — US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 — — 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 (2 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 TSHR 723/4885GLA 105/4885LMNA 1672/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 TSHR 1579/4885GLA 129/4885LMNA 1504/4885

“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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