SCHEMBL8229792

SCHEMBL8229792

O=C(NNCc1ccc(-c2ccccn2)cc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.47
TNKS2 Q9H2K2 2/20 0.47
HCAR2 Q8TDS4 1/20 0.46
PLAU P00749 1/20 0.45
POLB P06746 2/20 0.45
HPGDS O60760 2/20 0.44
NAMPT P43490 1/20 0.44
ROCK2 O75116 1/20 0.44
FFAR1 O14842 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNA3 P22001 1/20 0.42
KCNA5 P22460 1/20 0.42
EPHX1 P07099 1/20 0.42
CYP2D6 P10635 1/20 0.42
EPHX2 P34913 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL7911949 0.86 HCAR2 (0.46) HCAR2HPGDSFFAR1EPHX1CYP2D6
SCHEMBL893594 0.84 HCAR2 (0.55) HCAR2HPGDSFFAR1HDAC1HDAC2
SCHEMBL7396978 0.82 CA12 (0.57) PLAUPOLBCA12CA1CA2
SCHEMBL6692 0.81 TRPV1 (0.44) HCAR2HPGDSNAMPTHDAC1EPHX1
SCHEMBL30637051 0.81 TRPV1 (0.44) HCAR2HPGDSNAMPTHDAC1EPHX1
SCHEMBL13359960 0.81 HCAR2 (0.45) HCAR2HPGDSEPHX1CYP2D6EPHX2
SCHEMBL3999864 0.76 POLB (0.43) HCAR2POLBROCK2FFAR1HDAC1
SCHEMBL8231883 0.76 MIF (0.68) HDAC1HDAC2
SCHEMBL2773101 0.76 HPGDS (0.56) HCAR2HPGDSROCK2EPHX1CYP2D6
SCHEMBL25771684 0.75 ALDH1A1 (0.59) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069303-B1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2016-03-30 EP disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 US disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 US disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 US disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 US disclosed
WO-2008011117-A2 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-01-24 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 (2 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-20090105279-A1 Antiviral protease inhibitors ACE, TMPRSS15, MME TNKS 1011/4885TNKS2 2120/4885HCAR2 4554/4885
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS ACE, DNPEP, TMPRSS15 TNKS 951/4885TNKS2 2019/4885HCAR2 4606/4885

“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.