SCHEMBL237122

SCHEMBL237122

Nc1ncc2[nH]c(N)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
NUDT1 P36639 2/20 0.47
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MASP2 O00187 1/20 0.38
AOC3 Q16853 1/20 0.38
PNP P00491 3/20 0.36
FABP6 P51161 1/20 0.35
AKR1B1 P15121 1/20 0.34
PTPN11 Q06124 1/20 0.33
PLAU P00749 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL31561546 1.00 ALDH1A1 (0.53) ALDH1A1NUDT1RXFP1MEN1KMT2A
SCHEMBL30175417 0.91 ALDH1A1 (0.46) ALDH1A1NUDT1RXFP1MEN1KMT2A
Phosphoramidic Acid SCHEMBL2773899 0.88 ALDH1A1 (0.43) ALDH1A1NUDT1RXFP1MEN1KMT2A
SCHEMBL4283927 0.86 ALDH1A1 (0.42) ALDH1A1NUDT1RXFP1MEN1KMT2A
SCHEMBL8447336 0.79 ALDH1A1 (0.50) ALDH1A1NUDT1RXFP1MEN1KMT2A
SCHEMBL28016408 0.79 ALDH1A1 (0.50) ALDH1A1RXFP1
SCHEMBL2934833 0.79 ALDH1A1 (0.50) ALDH1A1RXFP1
SCHEMBL5034214 0.79 ALDH1A1 (0.50) ALDH1A1RXFP1
SCHEMBL3963577 0.79 ALDH1A1 (0.50) ALDH1A1RXFP1KDM4E
SCHEMBL27657809 0.79 ALDH1A1 (0.50) ALDH1A1NUDT1RXFP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11965209-B2 Method for obtaining structural information concerning an encoded molecule and method for selecting compounds NUEVOLUTION A/S (DK) 2024-04-23 US claimed
US-20220205027-A1 METHOD FOR OBTAINING STRUCTURAL INFORMATION CONCERNING AN ENCODED MOLECULE AND METHOD FOR SELECTING COMPOUNDS NUEVOLUTION A/S (DK) 2022-06-30 US claimed
WO-2020159447-A1 METHOD OF SYNTHESIZING SINGLE-STRANDED NUCLEOTIDE SEQUENCE, BLOCKED NUCLEOSIDE TRIPHOSPHATES AND RELATED METHODS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-08-06 WO claimed
CN-109563095-A Animal and people's anti-malarial agents 细胞基因公司 2019-04-02 CN claimed
CN-109476696-A Anti-trypanosome and anti-leishmania agents for animals and humans 细胞基因公司 2019-03-15 CN claimed
EP-2748357-A1 METHODS FOR TAGGING DNA-ENCODED LIBRARIES X-Chem, Inc. (US) 2014-07-02 EP claimed
WO-2013036810-A1 METHODS FOR TAGGING DNA-ENCODED LIBRARIES X-CHEM, INC. (US) 2013-03-14 WO claimed
US-20070112004-A1 4'-THIO-L-XYLOY FURANOSYL NUCLEOSIDES, PRECURSORS THEREOF, PREPARATION AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2007-05-17 US claimed
US-6936365-B2 Ion conductive film and fuel cell using the same KABUSHIKI KAISHA TOSHIBA (JP) 2005-08-30 US claimed
US-20050130969-A1 4'-Thio-L-xyloy furanosyl nucleosides, precursors thereof, preparation and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2005-06-16 US claimed
US-20050042618-A1 Fluorescent resonance energy transfer probes ROCHE MOLECULAR SYSTEMS, INC. (US) 2005-02-24 US claimed
US-20030144235-A1 Anticarcinogenic agents for treating cancer, a viricides for viral diseases, inhibit DNA replication SOUTHERN RESEARCH INSTITUTE 2003-07-31 US claimed
WO-2001066118-A1 4'-THIO-L-XYLO FURANOSYL NUCLEOSIDES, PRECURSORS THEREOF, PREPARATION AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2001-09-13 WO claimed
US-5342840-A Viricides AJINOMOTO CO., INC. (JP) 1994-08-30 US claimed
EP-0502690-A2 Cyclopropane derivative Ajinomoto Co., Inc. (JP) 1992-09-09 EP claimed
US-20260139300-A1 NUCLEIC ACID CONCATEMERS AND METHODS FOR STABILIZING AND/OR COMPACTING THE SAME 10X GENOMICS INC (US) 2026-05-21 US disclosed
US-20260132444-A1 STABILIZATION AND/OR COMPACTION OF NUCLEIC ACID MOLECULES 10X GENOMICS, INC. (US) 2026-05-14 US disclosed
US-4644069-A HEATING MALEIC ACID OR ANHYDRIDE WITH AN AMIDINE OR ITS SALT CIBA-GEIGY CORPORATION (US) 1987-02-17 US disclosed
US-4639531-A HETEROCYCLIC AMIDINE CATALYST CIBA-GEIGY CORPORATION (US) 1987-01-27 US disclosed
US-4511492-A Electrically conducting aromatic azopolymers and method of preparation UOP INC. (US) 1985-04-16 US 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 (5 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-20030144235-A1 Anticarcinogenic agents for treating cancer, a viricides for viral diseases, inhibit DNA replication POLL, PCNA, YWHAZ ALDH1A1 956/4885NUDT1 199/4885RXFP1 4633/4885
US-20260139300-A1 NUCLEIC ACID CONCATEMERS AND METHODS FOR STABILIZING AND/OR COMPACTING THE SAME INCENP, SLIRP, SMCHD1 ALDH1A1 3929/4885NUDT1 2951/4885RXFP1 1598/4885
US-20070112004-A1 4'-THIO-L-XYLOY FURANOSYL NUCLEOSIDES, PRECURSORS THEREOF, PREPARATION AND USE THEREOF POLL, PNP, UNG ALDH1A1 2300/4885NUDT1 11/4885RXFP1 4391/4885
US-20050130969-A1 4'-Thio-L-xyloy furanosyl nucleosides, precursors thereof, preparation and use thereof POLL, PNP, UNG ALDH1A1 2300/4885NUDT1 11/4885RXFP1 4391/4885
US-20260132444-A1 STABILIZATION AND/OR COMPACTION OF NUCLEIC ACID MOLECULES SLIRP, SMCHD1, INCENP ALDH1A1 4056/4885NUDT1 2257/4885RXFP1 2302/4885

“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.