SCHEMBL5002848

SCHEMBL5002848

O=C(NCC[CH]O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HTT P42858 1/20 0.63
TGM2 P21980 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
KEAP1 Q14145 2/20 0.55
NFE2L2 Q16236 2/20 0.55
MAPT P10636 1/20 0.53
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KAT2B Q92831 1/20 0.49
GAA P10253 1/20 0.49
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL736590 0.87 LMNA (0.67) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL13055383 0.86 LMNA (0.80) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL485753 0.86 TGM2 (0.66) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL6253000 0.84 LMNA (0.63) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL9115718 0.83 LMNA (0.61) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL16553601 0.83 HTT (0.62) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL18254066 0.83 HTT (0.81) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL16299890 0.82 LMNA (0.60) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL9874334 0.81 HTT (0.79) LMNASMN1; SMN2HTTTGM2L3MBTL1
Benzyl Phenethylcarbamate SCHEMBL4287199 0.81 LMNA (0.73) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111385-B1 Substituted alkine derivatives as anti-cancer agents UNIV LOUISVILLE RES FOUND (US) 2014-11-12 EP disclosed
US-8703829-B2 Therapeutic compounds UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-04-22 US disclosed
EP-2567950-A1 Substituted alkine derivatives as anti-cancer agents University Of Louisville Research Foundation, Inc. (US) 2013-03-13 EP disclosed
US-20120329866-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION (US) 2012-12-27 US disclosed
US-8207381-B2 1-Bromo-1,1-difluoro-non-2-yn-4-ol; 6-Bromo-6,6-difluoro-2,2-dimethyl-hex-4-yn-3-ol; anticarcinogenic, -tumor, -metastasic agents; enzyme inhibitors of modification methylases; myelodysplastic syndrome, leukemia, a solid tumor, schizophrenia, sickle cell disease, or lupus; breast, colon, brain cancers UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION (US) 2012-06-26 US disclosed
US-20080188570-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION 2008-08-07 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-20080188570-A1 THERAPEUTIC COMPOUNDS ABCB1, NQO1, ABCB11 LMNA 1586/4885SMN1; SMN2 78/4885HTT 447/4885
US-20120329866-A1 THERAPEUTIC COMPOUNDS ABCB1, MCL1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 LMNA 1925/4885SMN1; SMN2 68/4885HTT 267/4885

“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.