SCHEMBL297913

SCHEMBL297913

O=[N+]([O-])c1ccc(SCc2ccccc2)c2nonc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 16/20 1.00
GSTM2 P28161 16/20 1.00
MEN1 O00255 2/20 0.57
HTT P42858 2/20 0.57
RECQL P46063 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
NSD2 O96028 1/20 0.57
POLB P06746 1/20 0.57
HSP90AA1 P07900 1/20 0.57
MAPT P10636 1/20 0.57
IDO1 P14902 1/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 1/20 0.57
BLM P54132 1/20 0.57
CASP6 P55212 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL296944 0.87 GSTP1 (0.77) GSTP1GSTM2IDO1CASP6
SCHEMBL298137 0.84 GSTP1 (0.72) GSTP1GSTM2IDO1
SCHEMBL13997681 0.80 GSTP1 (0.66) GSTP1GSTM2
SCHEMBL6836307 0.79 GSTP1 (1.00) GSTP1GSTM2MEN1HTTRECQL
SCHEMBL300204 0.78 GSTP1 (0.82) GSTP1GSTM2
SCHEMBL18878890 0.78 GSTP1 (0.77) GSTP1GSTM2MEN1HTTRECQL
SCHEMBL3502370 0.77 GSTP1 (0.74) GSTP1GSTM2ALDH1A1MAPT
SCHEMBL6049348 0.76 GSTP1 (0.74) GSTP1GSTM2IDO1
SCHEMBL7052057 0.75 GSTM2 (0.66) GSTP1GSTM2MEN1HTTRECQL
SCHEMBL3712753 0.75 GSTP1 (0.65) GSTP1GSTM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2012-05-17 US claimed
EP-2427442-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP claimed
WO-2010128156-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO claimed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-8865901-B2 Gain-of-function Bcl-2 inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-10-21 US disclosed
US-8865901-B2 Gain-of-function Bcl-2 inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-10-21 US disclosed
US-20120252839-A1 GAIN-OF-FUNCTION BCL-2 INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2012-10-04 US disclosed
US-20120252839-A1 GAIN-OF-FUNCTION BCL-2 INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2012-10-04 US disclosed
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2012-05-17 US disclosed
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2012-05-17 US disclosed
EP-2427442-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2011041737-A2 GAIN-OF-FUNCTION BCL-2 INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2011-04-07 WO disclosed
WO-2011041731-A2 METHOD OF INHIBITING BCL-2-RELATED SURVIVAL PROTEINS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2011-04-07 WO disclosed
WO-2010128156-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 GSTP1 719/4885GSTM2 266/4885MEN1 3416/4885
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION TENT4B, IRF3, MAVS GSTP1 1679/4885GSTM2 2265/4885MEN1 4597/4885
US-20120252839-A1 GAIN-OF-FUNCTION BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 GSTP1 2321/4885GSTM2 1424/4885MEN1 1948/4885

“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.