SCHEMBL1695771

SCHEMBL1695771

O=C(CNC(=O)COc1ccccc1)NCc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.71
HPGD P15428 1/20 0.71
MEN1 O00255 4/20 0.63
ADAMTS5 Q9UNA0 2/20 0.62
SGMS1 Q86VZ5 1/20 0.60
ERCC1 P07992 1/20 0.60
ERCC4 Q92889 1/20 0.60
ALDH1A1 P00352 3/20 0.59
POLB P06746 2/20 0.58
TAOK1 Q7L7X3 1/20 0.58
TAOK3 Q9H2K8 1/20 0.58
RAB9A P51151 1/20 0.56
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
THRB P10828 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL1695939 0.90 KMT2A (0.88) KMT2AHPGDMEN1SGMS1ERCC1
SCHEMBL14112020 0.89 KMT2A (0.79) KMT2AHPGDMEN1ADAMTS5SGMS1
SCHEMBL16082992 0.87 KMT2A (0.66) KMT2AHPGDMEN1ADAMTS5SGMS1
SCHEMBL14900387 0.86 KMT2A (0.71) KMT2AHPGDMEN1ERCC1ERCC4
SCHEMBL1695526 0.86 KMT2A (0.66) KMT2AHPGDMEN1ADAMTS5ERCC1
SCHEMBL1695788 0.85 GAA (0.70) KMT2AHPGDMEN1ADAMTS5SGMS1
SCHEMBL5272168 0.84 KMT2A (1.00) KMT2AHPGDMEN1SGMS1ERCC1
SCHEMBL1695641 0.83 KMT2A (0.66) KMT2AHPGDMEN1ADAMTS5ERCC1
SCHEMBL15145905 0.81 ALDH1A1 (0.73) KMT2AHPGDMEN1ADAMTS5SGMS1
SCHEMBL15145811 0.81 POLB (0.74) KMT2AHPGDMEN1SGMS1ALDH1A1

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
US-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein DREXEL UNIVERSITY 2013-05-02 US claimed
US-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein DREXEL UNIVERSITY 2013-05-02 US disclosed
US-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein DREXEL UNIVERSITY 2013-05-02 US disclosed
US-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein DREXEL UNIVERSITY 2013-05-02 US disclosed
WO-2011139636-A1 SMALL MOLECULE INHIBITORS OF FUNCTIONS OF THE HIV-1 MATRIX PROTEIN PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2011-11-10 WO disclosed
WO-2011139636-A1 SMALL MOLECULE INHIBITORS OF FUNCTIONS OF THE HIV-1 MATRIX PROTEIN PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2011-11-10 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-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein SERPINB1, TIMP3, MIF KMT2A 3645/4885HPGD 1653/4885MEN1 3773/4885

“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.