SCHEMBL3099655

SCHEMBL3099655

O=C(Cl)OCCCCSSc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.47
HDAC2 Q92769 13/20 0.47
EHMT2 Q96KQ7 1/20 0.43
EHMT1 Q9H9B1 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GRM2 Q14416 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3093190 0.96 HDAC1 (0.46) HDAC1HDAC2EHMT2EHMT1APOBEC3G
SCHEMBL844408 0.90 EHMT2 (0.47) HDAC1HDAC2EHMT2EHMT1APOBEC3G
SCHEMBL28255049 0.84 HDAC1 (0.48) HDAC1HDAC2EHMT2EHMT1APOBEC3G
SCHEMBL23336313 0.83 HDAC1 (0.45) HDAC1HDAC2EHMT2EHMT1APOBEC3G
SCHEMBL14817461 0.83 HDAC1 (0.45) HDAC1HDAC2EHMT2EHMT1APOBEC3G
SCHEMBL11827062 0.82 EHMT2 (0.52) HDAC1HDAC2EHMT2EHMT1APOBEC3G
SCHEMBL11822538 0.82 EHMT2 (0.64) HDAC1HDAC2EHMT2EHMT1APOBEC3G
SCHEMBL12369378 0.81 ALDH1A1 (0.49) HDAC1HDAC2EHMT2EHMT1APOBEC3G
SCHEMBL2738376 0.81 LMNA (0.49) HDAC1HDAC2EHMT2EHMT1APOBEC3G
SCHEMBL10326956 0.81 EHMT2 (0.50) HDAC1HDAC2EHMT2EHMT1APOBEC3G

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
US-8653238-B2 Compositions and methods for transport of molecules with enhanced release properties across biological barriers THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-02-18 US disclosed
US-20100255499-A1 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-07 US disclosed
EP-1988911-A2 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS The Board Of Trustees Of The University Of the Leland Stanford Junior University (US) 2008-11-12 EP disclosed
WO-2008069824-A2 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-06-12 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-20100255499-A1 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS SLC2A9, SLC43A1, SLC2A8 HDAC1 3838/4885HDAC2 4544/4885EHMT2 2930/4885

“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.