SCHEMBL21786993

SCHEMBL21786993

NCCc1ccc(O)c(/N=N/c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NQO2 P16083 2/20 0.46
MAPK1 P28482 3/20 0.45
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
TAAR1 Q96RJ0 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ADRA2A P08913 2/20 0.45
DRD2 P14416 2/20 0.45
DRD1 P21728 2/20 0.45
DRD4 P21917 2/20 0.45
DRD5 P21918 2/20 0.45
SLC6A2 P23975 2/20 0.45
DRD3 P35462 2/20 0.45
RECQL P46063 2/20 0.45
SLC6A3 Q01959 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
ADRB2 P07550 1/20 0.45

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
SCHEMBL23734235 0.89 MAPT (0.45) MAPK1MAPTTDP1TAAR1KDM4E
SCHEMBL13523477 0.86 CA1 (0.46) CA1CA2NQO2ALDH1A1TP53
SCHEMBL23346372 0.83 BACE1 (0.44) CA1CA2NQO2MAPK1MAPT
SCHEMBL21787273 0.78 NME4 (0.40) CA1CA2NQO2MAPTTDP1
SCHEMBL15563076 0.76 MAPT (0.42) CA1CA2NQO2MAPK1MAPT
SCHEMBL15563075 0.76 MAPT (0.42) CA1CA2NQO2MAPK1MAPT
Ethylenediamine SCHEMBL29236262 0.75 TRPA1 (0.69) CA1CA2MAPTTDP1KDM4E
SCHEMBL17777821 0.74 TRPA1 (0.62) CA1CA2MAPTTDP1KDM4E
Terephthalic Acid SCHEMBL8743595 0.74 ALDH1A1 (0.56) MAPTTDP1TAAR1KDM4EADRA2A
SCHEMBL589884 0.74 ALDH1A1 (0.56) MAPTTDP1TAAR1KDM4EADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-20210139976-A1 NUCLEOTIDE ANALOGUES AND USE THEREOF FOR NUCLEIC ACID SEQUENCING AND ANALYSIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-05-13 US disclosed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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 (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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT CA1 4558/4885CA2 4636/4885NQO2 392/4885
US-20210139976-A1 NUCLEOTIDE ANALOGUES AND USE THEREOF FOR NUCLEIC ACID SEQUENCING AND ANALYSIS NUDT1, NT5C3B, RNGTT CA1 4780/4885CA2 4691/4885NQO2 329/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 CA1 4662/4885CA2 4663/4885NQO2 417/4885

“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.