SCHEMBL15780693

SCHEMBL15780693

COc1ccc(-c2nnc(S)n2/N=C/c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
NFE2L2 Q16236 1/20 0.51
HPGD P15428 5/20 0.51
APOBEC3G Q9HC16 3/20 0.51
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
HTT P42858 2/20 0.47
AMY1A P0DUB6 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.44
ALOX12 P18054 1/20 0.44
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL28528748 0.82 ALDH1A1 (0.83) ALDH1A1NFE2L2HPGDAPOBEC3GKMT2A
SCHEMBL10012898 0.81 POLB (0.58) ALDH1A1HPGDAPOBEC3GKMT2AMEN1
SCHEMBL10012896 0.81 POLB (0.58) ALDH1A1HPGDAPOBEC3GKMT2AMEN1
SCHEMBL10012630 0.74 POLB (0.49) ALDH1A1HPGDAPOBEC3GKMT2AMEN1
SCHEMBL10012633 0.74 POLB (0.49) ALDH1A1HPGDAPOBEC3GKMT2AMEN1
SCHEMBL4441637 0.74 ALDH1A1 (0.67) ALDH1A1HPGDAPOBEC3GKMT2AMEN1
SCHEMBL4441638 0.74 ALDH1A1 (0.67) ALDH1A1HPGDAPOBEC3GKMT2AMEN1
SCHEMBL15780714 0.74 KDM4E (0.55) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL9354338 0.72 NFE2L2 (0.67) ALDH1A1NFE2L2KMT2AMEN1HTT
SCHEMBL9354335 0.72 NFE2L2 (0.67) ALDH1A1NFE2L2KMT2AMEN1HTT

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-20180028478-A1 ANTIVIRAL COMPOSITIONS DIRECTED AGAINST THE NUCLEOPROTEIN OF INFLUENZA VIRUSES INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 2018-02-01 US disclosed
US-9783482-B2 Antiviral compositions directed against the influenza virus nucleoprotein INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 2017-10-10 US disclosed
US-20140163107-A1 ANTIVIRAL COMPOSITIONS DIRECTED AGAINST THE INFLUENZA VIRUS NUCLEOPROTEIN INSTITUT NATIONAL DE LA RECHERCHE AGRONIMIQUE (FR) 2014-06-12 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 (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-20180028478-A1 ANTIVIRAL COMPOSITIONS DIRECTED AGAINST THE NUCLEOPROTEIN OF INFLUENZA VIRUSES SNRPE, HNRNPA1, ADAR ALDH1A1 3240/4885NFE2L2 4300/4885HPGD 3463/4885
US-20140163107-A1 ANTIVIRAL COMPOSITIONS DIRECTED AGAINST THE INFLUENZA VIRUS NUCLEOPROTEIN SNRPE, HNRNPA1, SNRPF ALDH1A1 4311/4885NFE2L2 4539/4885HPGD 4564/4885

“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.