SCHEMBL986800

SCHEMBL986800

Nc1nc2c(ncn2-n2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.60
PNP P00491 4/20 0.56
TK1 P04183 2/20 0.56
BLM P54132 2/20 0.55
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
EDNRA P25101 1/20 0.55
HTR2A P28223 1/20 0.55
RECQL P46063 1/20 0.55
HBB P68871 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
VCP P55072 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL15005119 0.98 XDH (0.59) XDHPNPTK1BLMUSP2
SCHEMBL1825531 0.89 XDH (0.51) XDHPNPTK1BLMUSP2
SCHEMBL1831279 0.88 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL72147 0.88 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL556881 0.87 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL10835122 0.86 XDH (0.61) XDHPNPTK1BLMUSP2
SCHEMBL79000 0.85 XDH (0.51) XDHPNPTK1BLMUSP2
SCHEMBL4426345 0.85 XDH (0.54) XDHPNPTK1BLMUSP2
SCHEMBL28348671 0.85 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL523465 0.84 XDH (0.47) 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 225 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240055073-A1 SAMPLE CONTAMINATION DETECTION OF CONTAMINATED FRAGMENTS WITH CPG-SNP CONTAMINATION MARKERS GRAIL, LLC 2024-02-15 US claimed
WO-2024025831-A1 SAMPLE CONTAMINATION DETECTION OF CONTAMINATED FRAGMENTS WITH CPG-SNP CONTAMINATION MARKERS GRAIL, LLC (US) 2024-02-01 WO claimed
US-11827880-B2 Therapeutic editing SHAPE THERAPEUTICS INC. (US) 2023-11-28 US claimed
US-20230044119-A1 Therapeutic Editing SHAPE THERAPEUTICS INC. 2023-02-09 US claimed
CN-115038789-A Therapeutic editing 塑造治疗公司 2022-09-09 CN claimed
WO-2021113270-A1 THERAPEUTIC EDITING SHAPE THERAPEUTICS INC. (US) 2021-06-10 WO claimed
WO-2016040602-A1 REDUCED REPRESENTATION BISULFITE SEQUENCING USING URACIL N-GLYCOSYLASE (UNG) AND ENDONUCLEASE IV EPICENTRE TECHNOLOGIES CORPORATION (US) 2016-03-17 WO claimed
EP-2922859-A1 PHOSPHONUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISORDERS University College Cork (IE) 2015-09-30 EP claimed
WO-2014079903-A1 PHOSPHONUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISORDERS UNIVERSITY COLLEGE CORK (IE) 2014-05-30 WO claimed
WO-2011000593-A1 METHOD FOR DETERMINING SUSCEPTIBILITY OF INDIVIDUALS TO POLYPHENOLS UNILEVER PLC (GB) 2011-01-06 WO claimed
US-6808884-B2 INTERCALATION COMPOUND FOR USE IN THE DIAGNOSIS AND DETECTION OF GENETIC DISORDERS CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-10-26 US claimed
EP-1425419-A2 ELECTROCHEMICAL SENSOR USING INTERCALATIVE, REDOX-ACTIVE MOIETIES California Institute Of Technology (US) 2004-06-09 EP claimed
US-20040063126-A1 Electrochemical sensor using intercalative, redox-active moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-01 US claimed
WO-2002057492-A9 METHODS AND COMPOSITIONS FOR DETECTING POLYNUCLEOTIDE DUPLEX DAMAGE CALIFORNIA INST OF TECHN (US) 2003-12-18 WO claimed
US-6649350-B2 Detecting nucleotide sequence mutations in sample; obtain nucleotide sequence sample, form film, immerse the nucleic acid film in solution, measure electrical current and detect nucleotide sequence adjustment CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-11-18 US claimed
EP-1349962-A1 METHODS AND COMPOSITIONS FOR DETECTING POLYNUCLEOTIDE DUPLEX DAMAGE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-10-08 EP claimed
WO-2003023365-A2 ELECTROCHEMICAL SENSOR USING INTERCALATIVE, REDOX-ACTIVE MOIETIES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-03-20 WO claimed
US-20020155470-A1 Methods and compositions for detecting polynucleotide duplex damage and errors CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-10-24 US claimed
US-20020146716-A1 Electrochemical sensor using intercalative, redox-active moieties CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-10-10 US claimed
WO-2002057492-A1 METHODS AND COMPOSITIONS FOR DETECTING POLYNUCLEOTIDE DUPLEX DAMAGE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-07-25 WO claimed

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-20020155470-A1 Methods and compositions for detecting polynucleotide duplex damage and errors POLRMT, POLN, POLM XDH 917/4885PNP 116/4885TK1 361/4885
US-20230044119-A1 Therapeutic Editing DCLRE1B, NSUN3, MTREX XDH 3227/4885PNP 134/4885TK1 1181/4885
US-11827880-B2 Therapeutic editing DCLRE1B, NSUN3, MTREX XDH 3227/4885PNP 134/4885TK1 1181/4885

“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.