SCHEMBL6831029

SCHEMBL6831029

CCOC(=O)/C=C(/c1cccnc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.58
MAPT P10636 5/20 0.52
TGM2 P21980 1/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.47
AGTR1 P30556 1/20 0.47
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
PTAFR P25105 1/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 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
SCHEMBL6831033 1.00 TBXAS1 (0.58) TBXAS1MAPTTGM2KMT2AMEN1
SCHEMBL6834281 1.00 TBXAS1 (0.58) TBXAS1MAPTTGM2KMT2AMEN1
SCHEMBL6831082 0.90 KMT2A (0.56) MAPTKMT2AMEN1NPC1HSP90AA1
SCHEMBL6836014 0.86 MEN1 (0.53) MAPTKMT2AMEN1AGTR1NPC1
SCHEMBL6836012 0.86 MEN1 (0.53) MAPTKMT2AMEN1AGTR1NPC1
SCHEMBL11224523 0.86 MEN1 (0.53) MAPTKMT2AMEN1AGTR1NPC1
SCHEMBL6830998 0.82 TBXAS1 (0.47) TBXAS1MAPTTGM2KMT2AMEN1
SCHEMBL6831006 0.82 TBXAS1 (0.47) TBXAS1MAPTTGM2KMT2AMEN1
SCHEMBL6831002 0.82 TBXAS1 (0.47) TBXAS1MAPTTGM2KMT2AMEN1
SCHEMBL8775833 0.81 TBXAS1 (0.61) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029928-A1 Novel propenohydroxamic acid derivatives WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2004-02-12 US disclosed
EP-1314721-A1 NOVEL PROPENOHYDROXAMIC ACID DERIVATIVES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 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-20040029928-A1 Novel propenohydroxamic acid derivatives TNF, SI, HDGF TBXAS1 33/4885MAPT 4627/4885TGM2 1843/4885

“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.