SCHEMBL3303701

SCHEMBL3303701

O=C(CBr)NCCCCCCNC(=O)CBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CASP2 P42575 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
NAAA Q02083 1/20 0.45

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
SCHEMBL16853226 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16853230 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16853229 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16853231 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16853228 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL23475919 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16853225 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16853220 0.97 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16853223 0.92 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL20822011 0.91 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2024-06-27 US disclosed
EP-4212180-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF The Scripps Research Institute (US) 2023-07-19 EP disclosed
US-20220000981-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2022-01-06 US disclosed
US-11007252-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2021-05-18 US disclosed
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-08-07 US disclosed
US-10010589-B2 2018-07-03 US disclosed
US-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-11-03 US disclosed
WO-2015095406-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-06-25 WO disclosed
US-20100102975-A1 BATTERY LEAKAGE DETECTION SYSTEM SONY DEUTSCHLAND GMBH (DE) 2010-04-29 US disclosed
EP-1841002-B1 Battery leakage detection system SONY DEUTSCHLAND GMBH (DE) 2009-05-20 EP disclosed
US-20070229294-A1 BATTERY LEAKAGE DETECTION SYSTEM SONY DEUTSCHLAND GMBH (DE) 2007-10-04 US disclosed
EP-1841002-A1 Battery leakage detection system SONY DEUTSCHLAND GMBH (DE) 2007-10-03 EP 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 (6 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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 ALDH1A1 4240/4885SMN1; SMN2 1134/4885HDAC3 2423/4885
US-20220000981-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 ALDH1A1 4240/4885SMN1; SMN2 1134/4885HDAC3 2423/4885
US-11007252-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof SGMS1, SGMS2, PHOSPHO1 ALDH1A1 4240/4885SMN1; SMN2 1134/4885HDAC3 2423/4885
US-10010589-B2 TYMP, MTAP, TUBB6 ALDH1A1 3205/4885SMN1; SMN2 599/4885HDAC3 2701/4885
US-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 ALDH1A1 4240/4885SMN1; SMN2 1134/4885HDAC3 2423/4885
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof SGMS1, SGMS2, PHOSPHO1 ALDH1A1 4240/4885SMN1; SMN2 1134/4885HDAC3 2423/4885

“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.