SCHEMBL23939726

SCHEMBL23939726

O=[N+]([O-])c1ccc(Cl)c(/C=N/O)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 3/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
VCAM1 P19320 5/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL25457762 1.00 TDP1 (0.55) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL29508313 1.00 TDP1 (0.55) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL24169562 0.83 TDP1 (0.55) TDP1MEN1KMT2AMAPK1MAPT
SCHEMBL23195874 0.81 TDP1 (0.41) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL10921212 0.80 MAPT (0.63) TDP1KMT2AL3MBTL1MAPK1MAPT
SCHEMBL701358 0.80 MEN1 (0.49) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL701357 0.80 MEN1 (0.49) TDP1MEN1KMT2AL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL10917770 0.79 MAPT (0.61) TDP1KMT2AL3MBTL1MAPK1MAPT
SCHEMBL1115822 0.79 TDP1 (0.62) TDP1MEN1KMT2AMAPK1HSP90AA1
SCHEMBL22681399 0.77 TDP1 (0.60) TDP1MAPK1HSP90AA1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323967-A1 PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-10-21 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 (1 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-20210323967-A1 PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION TYMP, TYMS, DPYD TDP1 409/4885MEN1 4760/4885KMT2A 2789/4885

“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.