SCHEMBL4740795

SCHEMBL4740795

CNCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
EPHX2 P34913 1/20 0.52
CASP3 P42574 2/20 0.46
CXCR2 P25025 1/20 0.45
FABP5 Q01469 2/20 0.45
FABP7 O15540 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
Hydrochloric Acid SCHEMBL5030802 0.99 KMT2A (0.63) KMT2AEPHX2CASP3CXCR2FABP5
SCHEMBL697928 0.92 KMT2A (0.73) KMT2AEPHX2CASP3CXCR2FABP5
SCHEMBL693424 0.92 KMT2A (0.69) KMT2AEPHX2CASP3CXCR2FABP5
Hydrochloric Acid SCHEMBL693423 0.91 KMT2A (0.67) KMT2AEPHX2CASP3CXCR2FABP5
SCHEMBL18376140 0.89 KMT2A (0.64) KMT2AEPHX2CASP3CXCR2FABP5
SCHEMBL20126921 0.88 KMT2A (0.60) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL92796 0.87 KMT2A (0.66) KMT2AEPHX2CASP3CXCR2FABP5
SCHEMBL31419531 0.87 KMT2A (0.66) KMT2AEPHX2CASP3CXCR2FABP5
SCHEMBL31305073 0.86 KMT2A (0.62) KMT2AEPHX2CASP3CXCR2FABP5
SCHEMBL422645 0.86 KMT2A (0.62) KMT2AEPHX2CASP3FABP5FABP7

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-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2024-06-27 US disclosed
US-20130190248-A1 SUBSTITUTED PEPTIDE ANALOGS AGENSYS, INC. (US) 2013-07-25 US disclosed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 US disclosed
WO-2008101202-A1 N-17-ALKYLATED PRODRUGS OF OPIOIDS PHARMACOFORE, INC. (US) 2008-08-21 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 (3 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-20130190248-A1 SUBSTITUTED PEPTIDE ANALOGS NGLY1, VIP, DNPEP KMT2A 2205/4885EPHX2 3286/4885CASP3 1285/4885
US-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 KMT2A 3238/4885EPHX2 1256/4885CASP3 388/4885
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids OPRM1, OPRD1, OPRL1 KMT2A 827/4885EPHX2 872/4885CASP3 1578/4885

“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.