SCHEMBL1302000

SCHEMBL1302000

Nc1nc2c(ncn2N=O)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.58
PNP P00491 3/20 0.51
TK1 P04183 2/20 0.51
BLM P54132 2/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
EDNRA P25101 1/20 0.50
HTR2A P28223 1/20 0.50
RECQL P46063 1/20 0.50
HBB P68871 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
VCP P55072 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL25981845 0.86 XDH (0.57) XDHPNPTK1BLMUSP2
SCHEMBL2470032 0.85 XDH (0.53) XDHPNPTK1BLMUSP2
SCHEMBL28320857 0.83 XDH (0.55) XDHPNPTK1BLMUSP2
SCHEMBL10339632 0.83 XDH (0.55) XDHPNPTK1BLMUSP2
SCHEMBL1401469 0.82 XDH (0.53) XDHPNPTK1BLMUSP2
SCHEMBL27667185 0.81 XDH (0.63) XDHPNPTK1BLMUSP2
SCHEMBL986800 0.80 XDH (0.60) XDHPNPTK1BLMUSP2
SCHEMBL15005119 0.78 XDH (0.59) XDHPNPTK1BLMUSP2
SCHEMBL41787 0.78 XDH (0.59) XDHPNPTK1BLMUSP2
SCHEMBL10835122 0.77 XDH (0.61) XDHPNPTK1BLMUSP2

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146475-A2 METHOD FOR DETERMINING GENOTOXICITY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-08-03 WO disclosed
US-8597900-B2 Compositions and methods for the treatment of cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-12-03 US disclosed
US-20130280258-A1 PROGNOSTIC, DIAGNOSTIC, AND CANCER THERAPEUTIC USES OF FANCI AND FANCI MODULATING AGENTS MILTENYI BIOTEC GMBH (DE) 2013-10-24 US disclosed
US-8541198-B2 Method for determination and quantification of radiation or genotoxin exposure DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-09-24 US disclosed
US-8541192-B2 Methods to identify USP1 deubiquitinating enzyme complex inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-09-24 US disclosed
US-20110312514-A1 Method For Determination And Quantification Of Radiation Or Genotoxin Exposure DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-12-22 US disclosed
US-20110269817-A1 COMPOSITIONS AND METHODS RELATED TO SIRT1 FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-03 US disclosed
US-20110151487-A1 Compositions And Methods For The Treatment Of Cancer DANA-FARBER CANCER INSTITUTE, INC. 2011-06-23 US disclosed
EP-2315600-A2 COMPOSITIONS AND METHODS RELATED TO SIRT1 FUNCTION The Regents of the University of California (US) 2011-05-04 EP disclosed
US-7910325-B2 Screening agents which modulate formation of Fanconi anemia complementation group D2 (FANC D2) -containing foci; cell expressing polynucleotide comprising DNA sequence encoding protein; determining a subject's sensitivity to a genotoxic agent DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-03-22 US disclosed
EP-0517413-B1 Fermentation of a triol heptanoic acid by mutant strains of aspergillus terreus MERCK & CO INC (US) 1996-09-04 EP disclosed
US-5470729-A Method of isolating restriction fragment deletions in Vibrio cholerae, and products thereof UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1995-11-28 US disclosed
EP-0119031-B1 Avirulent Vibrio Cholerae and methods for its production UNIV MARYLAND (US) 1994-07-27 EP disclosed
EP-0581329-A1 Method of isolating restriction fragment deletions in vibrio cholerae, and products thereof THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1994-02-02 EP disclosed
US-5250435-A Fermentation culture which produces high yields of pure reductase inhibitors or anticholesterol agents MERCK & CO., INC. (US) 1993-10-05 US disclosed
EP-0485591-A4 METHOD OF ISOLATING RESTRICTION FRAGMENT DELETIONS IN -I(VIBRIO CHOLERAE), AND PRODUCTS THEREOF 1993-07-14 EP disclosed
EP-0517413-A1 Fermentation of a triol heptanoic acid by mutant strains of aspergillus terreus MERCK & CO. INC. (US) 1992-12-09 EP disclosed
US-5135862-A METHOD OF ISOLATING RESTRICTION FRAGMENT DELETIONS IN VIBRIO CHOLERAE, PRODUCTS THEREOF UNIVERSITY OF MARYLAND (US) 1992-08-04 US disclosed
EP-0485591-A1 METHOD OF ISOLATING RESTRICTION FRAGMENT DELETIONS IN -i(VIBRIO CHOLERAE), AND PRODUCTS THEREOF. UNIV MARYLAND (US) 1992-05-20 EP disclosed
WO-1991018979-A1 METHOD OF ISOLATING RESTRICTION FRAGMENT DELETIONS IN VIBRIO CHOLERAE, AND PRODUCTS THEREOF UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1991-12-12 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-20110269817-A1 COMPOSITIONS AND METHODS RELATED TO SIRT1 FUNCTION CRY1, PER2, SIRT1 XDH 2164/4885PNP 3131/4885TK1 4293/4885
US-20130280258-A1 PROGNOSTIC, DIAGNOSTIC, AND CANCER THERAPEUTIC USES OF FANCI AND FANCI MODULATING AGENTS FANCI, FANCF, FANCD2 XDH 2648/4885PNP 2237/4885TK1 953/4885

“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.