SCHEMBL5511344

SCHEMBL5511344

O=C(NCCc1cc[c]cc1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HTT P42858 1/20 0.58
TGM2 P21980 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
MAPT P10636 1/20 0.50

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
Benzyl Phenethylcarbamate SCHEMBL4287199 0.91 LMNA (0.73) LMNASMN1; SMN2HTTTGM2L3MBTL1
Benzyl Phenethylcarbamate SCHEMBL6392045 0.86 LMNA (0.67) LMNASMN1; SMN2HTTTGM2L3MBTL1
Benzyl Phenethylcarbamate SCHEMBL27338403 0.85 LMNA (0.61) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL6554125 0.85 LMNA (0.65) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL10444759 0.85 PLAU (0.60) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL25334836 0.83 HTT (0.56) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL9487307 0.82 LMNA (0.61) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL160715 0.82 LMNA (0.61) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL13884390 0.82 LMNA (0.61) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL8802503 0.82 LMNA (0.61) LMNASMN1; SMN2HTTTGM2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447375-A Guanidine compound, preparation method and application thereof 中国医学科学院药物研究所 2024-01-26 CN disclosed
US-20200079808-A1 GLYCOPOLYMERS SEQUESTERING CARBOHYDRATE-BINDING PROTEINS POLYNEURON PHARMACEUTICALS AG (CH) 2020-03-12 US disclosed
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed
US-RE39576-E1 Enzyme inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-04-17 US disclosed
EP-0957087-B1 Intermediates useful in the preparation of enzyme inhibitors WELLCOME FOUND (GB) 2002-12-04 EP disclosed
EP-0765308-B1 ENZYME INHIBITORS WELLCOME FOUND (GB) 2000-04-05 EP disclosed
EP-0957087-A2 Enzyme inhibitors THE WELLCOME FOUNDATION LIMITED (GB) 1999-11-17 EP disclosed
US-5889056-A OF NITRIC OXIDE SYNTHASE; HYPOTENSIVE AGENT, ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS GLAXO WELLSOME INC. (US) 1999-03-30 US disclosed
EP-0765308-A1 ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1997-04-02 EP disclosed
WO-1995034534-A1 ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-12-21 WO 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-20200079808-A1 GLYCOPOLYMERS SEQUESTERING CARBOHYDRATE-BINDING PROTEINS LGALS3BP, LGALS3, LGALS1 LMNA 1436/4885SMN1; SMN2 4584/4885HTT 1774/4885

“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.