SCHEMBL686399

SCHEMBL686399

CC(C)(Br)C(=O)OCCCSSc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.42
HDAC2 Q92769 13/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
EHMT2 Q96KQ7 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9906788 0.92 LMNA (0.43) HDAC1HDAC2LMNASMN1; SMN2EHMT2
SCHEMBL686152 0.85 HDAC1 (0.39) HDAC1HDAC2LMNASMN1; SMN2EHMT2
SCHEMBL14817461 0.84 HDAC1 (0.45) HDAC1HDAC2LMNASMN1; SMN2EHMT2
SCHEMBL18622527 0.83 LMNA (0.44) HDAC1HDAC2LMNASMN1; SMN2EHMT2
SCHEMBL3093190 0.83 HDAC1 (0.46) HDAC1HDAC2LMNASMN1; SMN2EHMT2
SCHEMBL28255049 0.83 HDAC1 (0.48) HDAC1HDAC2LMNAEHMT2EHMT1
SCHEMBL2738376 0.82 LMNA (0.49) HDAC1HDAC2LMNASMN1; SMN2EHMT2
SCHEMBL23336313 0.82 HDAC1 (0.45) HDAC1HDAC2LMNASMN1; SMN2EHMT2
SCHEMBL20272385 0.80 LMNA (0.44) HDAC1HDAC2LMNASMN1; SMN2EHMT2
SCHEMBL3099655 0.79 HDAC1 (0.47) HDAC1HDAC2LMNASMN1; SMN2EHMT2

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
US-20110286935-A1 Multi-Functional Nano-Device ATRP Solutions, Inc. (US) 2011-11-24 US disclosed
US-20110286935-A1 Multi-Functional Nano-Device ATRP Solutions, Inc. (US) 2011-11-24 US disclosed
US-20070276088-A1 Biomacromolecule Polymer Conjugates REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2007-11-29 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 (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-20110286935-A1 Multi-Functional Nano-Device CD47, FCGRT, FCGR3B HDAC1 3013/4885HDAC2 3718/4885LMNA 4617/4885

“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.