SCHEMBL1995946

SCHEMBL1995946

COc1cc(N=Nc2ccc(C)cc2[N+](=O)[O-])c(C)cc1N=Nc1ccc(N(C)CCCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP14 P50281 1/20 0.55
▸ KDM4E B2RXH2 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 10/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAPT P10636 5/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HTT P42858 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL31672215 1.00 MMP14 (0.55) MMP14KDM4EGAAALDH1A1KMT2A
SCHEMBL12134558 1.00 MMP14 (0.55) MMP14KDM4EGAAALDH1A1KMT2A
SCHEMBL31158287 1.00 MMP14 (0.55) MMP14KDM4EGAAALDH1A1KMT2A
SCHEMBL31158285 1.00 MMP14 (0.55) MMP14KDM4EGAAALDH1A1KMT2A
SCHEMBL25717405 0.93 MMP14 (0.46) MMP14KDM4EGAAALDH1A1KMT2A
SCHEMBL25712980 0.91 MMP14 (0.44) MMP14KDM4EGAAALDH1A1KMT2A
SCHEMBL25210577 0.87 MMP14 (0.38) MMP14KDM4EGAAALDH1A1KMT2A
SCHEMBL12133415 0.87 MMP14 (0.38) MMP14KDM4EGAAALDH1A1KMT2A
SCHEMBL17780682 0.85 MMP14 (0.56) MMP14KDM4EGAAALDH1A1KMT2A
SCHEMBL2002779 0.84 MMP14 (0.78) MMP14GAAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960543-B2 Nucleoside or nucleotide derivative and use thereof RIKEN (JP) 2011-06-14 — — US claimed
US-20090275017-A1 Novel Nucleoside or Nucleotide Derivative and Use Thereof RIKEN (JP) 2009-11-05 — — US claimed
EP-1816130-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVE AND USE THEREOF Riken (JP) 2007-08-08 — — EP claimed
US-7960543-B2 Nucleoside or nucleotide derivative and use thereof RIKEN (JP) 2011-06-14 — — US disclosed
US-20090275017-A1 Novel Nucleoside or Nucleotide Derivative and Use Thereof RIKEN (JP) 2009-11-05 — — US disclosed
EP-1816130-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVE AND USE THEREOF Riken (JP) 2007-08-08 — — EP 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-20090275017-A1 Novel Nucleoside or Nucleotide Derivative and Use Thereof DUT, NT5C3B, NT5C MMP14 4627/4885KDM4E 172/4885GAA 704/4885

“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.

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