SCHEMBL12629995

SCHEMBL12629995

O=C(CC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.84
MEN1 O00255 7/20 0.84
NPC1 O15118 3/20 0.83
RAB9A P51151 2/20 0.83
TP53 P04637 1/20 0.64
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
KCNH2 Q12809 1/20 0.55
ALDH1A1 P00352 3/20 0.54
POLB P06746 1/20 0.54
GSK3B P49841 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NLRP1 Q9C000 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL8987227 0.91 KMT2A (0.87) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL9334034 0.91 RAB9A (1.00) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL11220251 0.87 KMT2A (0.66) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL600674 0.81 ERCC5 (0.72) KMT2AMEN1NPC1RAB9AERCC5
SCHEMBL20851771 0.81 POLB (0.74) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL17025585 0.80 KMT2A (0.61) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL1504229 0.80 ALDH1A1 (0.68) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL11572863 0.80 RAB9A (0.71) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL11782142 0.80 KMT2A (0.83) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL4671464 0.78 MAPT (0.62) KMT2AMEN1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757096-A9 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-11-26 EP disclosed
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
EP-2757096-A1 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-07-23 EP disclosed
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-8354429-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-01-15 US disclosed
US-8354429-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-01-15 US disclosed
US-7939545-B2 additionally comprising at least one other antiviral agent BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 US disclosed
US-7939545-B2 additionally comprising at least one other antiviral agent BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 US disclosed
EP-2019825-B9 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2011-01-26 EP disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
EP-2019825-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2010-09-01 EP disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
US-20080221159-A1 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. 2008-09-11 US disclosed
US-20080221159-A1 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. 2008-09-11 US disclosed
WO-2007131350-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 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 (4 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-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E KMT2A 3472/4885MEN1 3777/4885NPC1 813/4885
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E KMT2A 3472/4885MEN1 3777/4885NPC1 813/4885
US-20080221159-A1 Inhibitors of human immunodeficiency virus replication RTF2, RTF1, POLR1E KMT2A 3544/4885MEN1 4469/4885NPC1 1244/4885
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E KMT2A 3472/4885MEN1 3777/4885NPC1 813/4885

“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.