SCHEMBL5717772

SCHEMBL5717772

COc1ccc(-c2noc(CCC(N)=O)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.79
▸ ATM Q13315 1/20 0.79
▸ TP53 P04637 3/20 0.69
▸ RAB9A P51151 2/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ KLF5 Q13887 1/20 0.69
▸ MAPT P10636 5/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ HDAC1 Q13547 2/20 0.64
▸ POLB P06746 1/20 0.64
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ HDAC2 Q92769 1/20 0.63
▸ HDAC8 Q9BY41 1/20 0.63
▸ HPGD P15428 2/20 0.62
▸ SIRT2 Q8IXJ6 1/20 0.62
▸ USP2 O75604 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL1567346 0.88 LMNA (1.00) LMNAATMTP53RAB9ASMN1; SMN2
SCHEMBL5717732 0.82 TSHR (0.77) LMNAATMTP53RAB9ASMN1; SMN2
SCHEMBL6328547 0.82 MAPT (0.69) LMNAATMTP53SMN1; SMN2MAPT
SCHEMBL7977108 0.82 ALDH1A1 (0.69) LMNAATMTP53RAB9ASMN1; SMN2
SCHEMBL7952282 0.80 SIRT2 (0.72) LMNAATMRAB9ASMN1; SMN2MAPT
SCHEMBL4548476 0.80 LMNA (0.52) LMNAATMTP53RAB9ASMN1; SMN2
SCHEMBL6325229 0.80 LMNA (0.76) LMNAATMTP53RAB9ASMN1; SMN2
SCHEMBL7148635 0.79 SIRT2 (0.70) LMNAATMRAB9ASMN1; SMN2MAPT
SCHEMBL17513948 0.79 SIRT2 (0.65) LMNAATMRAB9ASMN1; SMN2MAPT
SCHEMBL8900040 0.79 LMNA (0.66) LMNAATMRAB9ASMN1; SMN2MAPT

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 4 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-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 — — US 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 (3 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 LMNA 1672/4885ATM 4398/4885TP53 3419/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 LMNA 1672/4885ATM 4398/4885TP53 3419/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 LMNA 1504/4885ATM 4604/4885TP53 3945/4885

“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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