SCHEMBL297980

SCHEMBL297980

O=[N+]([O-])c1ccc(Sc2ccc(F)cc2)c2nonc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 1.00
GSTP1 P09211 15/20 0.75
GSTM2 P28161 15/20 0.75
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
NSD2 O96028 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
HSP90AA1 P07900 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
BLM P54132 1/20 0.55
CASP6 P55212 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TLR9 Q9NR96 1/20 0.55

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
SCHEMBL6833698 0.87 IDO1 (0.78) IDO1GSTP1GSTM2KDM4EMEN1
SCHEMBL6831349 0.86 IDO1 (0.76) IDO1GSTP1GSTM2KDM4EMEN1
SCHEMBL18895758 0.86 IDO1 (0.76) IDO1GSTP1GSTM2KDM4EMEN1
SCHEMBL18895761 0.86 IDO1 (0.76) IDO1GSTP1GSTM2KDM4EMEN1
SCHEMBL17232426 0.86 IDO1 (0.76) IDO1GSTP1GSTM2
SCHEMBL6049433 0.86 IDO1 (0.76) IDO1GSTP1GSTM2
SCHEMBL6831327 0.86 IDO1 (0.76) IDO1GSTP1GSTM2KDM4EMEN1
SCHEMBL297920 0.86 IDO1 (1.00) IDO1GSTP1GSTM2CASP6
SCHEMBL6836307 0.86 GSTP1 (1.00) IDO1GSTP1GSTM2KDM4EMEN1
SCHEMBL3500242 0.85 IDO1 (0.74) IDO1GSTP1GSTM2

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 16 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-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed
US-9664696-B1 Compounds for determining the presence of hydrogen sulfide and methods of use UNIVERSITY OF OREGON (US) 2017-05-30 US disclosed
US-9664696-B1 Compounds for determining the presence of hydrogen sulfide and methods of use UNIVERSITY OF OREGON (US) 2017-05-30 US disclosed
US-9664696-B1 Compounds for determining the presence of hydrogen sulfide and methods of use UNIVERSITY OF OREGON (US) 2017-05-30 US disclosed
US-9073896-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-07-07 US disclosed
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-04-24 US disclosed
US-8445537-B2 Compounds that inhibit human DNA ligases and methods of treating cancer STC.UNM (US) 2013-05-21 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
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-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
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 (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-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION TENT4B, IRF3, MAVS IDO1 196/4885GSTP1 1679/4885GSTM2 2265/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 IDO1 3419/4885GSTP1 2223/4885GSTM2 1851/4885

“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.