SCHEMBL1695641

SCHEMBL1695641

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

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
HPGD P15428 2/20 0.66
ADAMTS5 Q9UNA0 2/20 0.62
MEN1 O00255 2/20 0.60
MAPK14 Q16539 1/20 0.57
ERCC1 P07992 1/20 0.56
ERCC4 Q92889 1/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
THRB P10828 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PPARG P37231 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.50

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 0.87 KMT2A (0.88) KMT2AHPGDMEN1ERCC1ERCC4
SCHEMBL1695771 0.83 KMT2A (0.71) KMT2AHPGDADAMTS5MEN1ERCC1
SCHEMBL14900387 0.83 KMT2A (0.71) KMT2AHPGDMEN1ERCC1ERCC4
SCHEMBL1695788 0.82 GAA (0.70) KMT2AHPGDADAMTS5MEN1ALDH1A1
SCHEMBL3567670 0.82 KMT2A (0.73) KMT2AHPGDMEN1ERCC1ERCC4
SCHEMBL5272168 0.81 KMT2A (1.00) KMT2AHPGDMEN1ERCC1ERCC4
SCHEMBL15145905 0.81 ALDH1A1 (0.73) KMT2AHPGDADAMTS5MEN1ALDH1A1
SCHEMBL21773980 0.80 MAPK14 (0.64) MAPK14PPARGL3MBTL1LMNA
SCHEMBL14890394 0.80 HPGD (0.55) KMT2AHPGDADAMTS5MEN1ALDH1A1
SCHEMBL1696025 0.78 EPHX2 (0.52) KMT2AHPGDADAMTS5MEN1ALDH1A1

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 5 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
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 1653/4885ADAMTS5 118/4885

“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.