SCHEMBL1765838

SCHEMBL1765838

Cn1c(S)nc2c(=O)[nH]c(N)nc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNP P00491 5/20 0.48
XDH P47989 7/20 0.47
DHFR P00374 4/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TK1 P04183 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL12820649 0.82 PNP (0.57) PNPXDHDHFRALDH1A1MAPT
SCHEMBL12958955 0.81 XDH (0.49) PNPXDHDHFRALDH1A1MAPT
SCHEMBL12968301 0.79 PNP (0.48) PNPXDHDHFRALDH1A1MAPT
SCHEMBL8798201 0.79 PNP (0.52) PNPXDHDHFRALDH1A1MAPT
SCHEMBL2982028 0.79 XDH (0.50) PNPXDHDHFRALDH1A1MAPT
SCHEMBL18520114 0.79 PNP (0.48) PNPXDHDHFRALDH1A1MAPT
SCHEMBL13046994 0.78 ALDH1A1 (0.53) PNPXDHDHFRALDH1A1MAPT
SCHEMBL18870774 0.77 PNP (0.49) PNPXDHDHFRALDH1A1MAPT
SCHEMBL16755642 0.77 PNP (0.46) PNPXDHDHFRALDH1A1MAPT
SCHEMBL21396362 0.76 PNP (0.56) PNPALDH1A1TK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190317040-A1 DEVICES AND METHODS FOR TARGET MOLECULE CHARACTERIZATION ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-10-17 US disclosed
US-10442771-B2 Trans-base tunnel reader for sequencing ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-10-15 US disclosed
US-10330632-B2 Devices and methods for target molecule characterization ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-06-25 US disclosed
US-20170204066-A1 NANOPORE BASED SEQUENCER ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2017-07-20 US disclosed
US-9593372-B2 Nanopore based sequencer ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-03-14 US disclosed
US-20170003245-A1 DEVICES AND METHODS FOR TARGET MOLECULE CHARACTERIZATION ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2017-01-05 US disclosed
US-9395352-B2 Devices and methods for target molecule characterization ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2016-07-19 US disclosed
US-20150211059-A1 TRANS-BASE TUNNEL READER FOR SEQUENCING ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2015-07-30 US disclosed
US-8968540-B2 Trans-base tunnel reader for sequencing ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-03-03 US disclosed
US-8961757-B2 Nanopore and carbon nanotube based DNA sequencer ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-02-24 US disclosed
US-20130186757-A1 Nanopore and Carbon Nanotube Based Dna Sequencer and A Serial Recognition Elements ARIZONA BOARD OF REGENTS (US) 2013-07-25 US disclosed
US-20110168562-A1 Nanopore and Carbon Nanotube Based DNA Sequencer ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2011-07-14 US disclosed
US-20110120868-A1 Nanopore and Carbon Nanotube Based DNA Sequencer and a Serial Recognition Sequencer ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2011-05-26 US disclosed
WO-2010042514-A1 NANOPORE AND CARBON NANOTUBE BASED DNA SEQUENCER AND A SERIAL RECOGNITION ELEMENTS ARIZONA BOARD OF REGENTS (US) 2010-04-15 WO disclosed
US-20100084276-A1 Devices and Methods for Target Molecule Characterization NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-08 US disclosed
WO-2009117522-A2 NANOPORE AND CARBON NANOTUBE BASED DNA SEQUENCER AND A SERIAL RECOGNITION SEQUENCER REINHART, KEVIN (US) 2009-09-24 WO disclosed
WO-2009117517-A2 NANOPORE AND CARBON NANOTUBE BASED DNA SEQUENCER ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2009-09-24 WO disclosed
WO-2008124706-A9 DEVICES AND METHODS FOR TARGET MOLECULE CHARACTERIZATION UNIV ARIZONA STATE (US) 2009-05-28 WO disclosed
WO-2008124706-A2 DEVICES AND METHODS FOR TARGET MOLECULE CHARACTERIZATION ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2008-10-16 WO disclosed
EP-0001989-A1 Substituted mercapto acid amides, process for their preparation, pharmaceutical composition containing same and their use MERCK & CO. INC. (US) 1979-05-30 EP 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-20170204066-A1 NANOPORE BASED SEQUENCER DNMT3A, DNTT, TELO2 PNP 1904/4885XDH 4799/4885DHFR 1194/4885
US-10442771-B2 Trans-base tunnel reader for sequencing DNTT, TRDMT1, TELO2 PNP 984/4885XDH 4682/4885DHFR 583/4885

“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.