SCHEMBL3594575

SCHEMBL3594575

O=C1CCc2c(cccc2[N+](=O)[O-])N1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
NPC1 O15118 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
CRBN Q96SW2 2/20 0.41
DDB1 Q16531 1/20 0.41
PGR P06401 1/20 0.40
MAPT P10636 2/20 0.40
GPR35 Q9HC97 1/20 0.40
POLB P06746 1/20 0.40
S100A4 P26447 1/20 0.40
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL260802 0.85 PGR (0.48) TDP1PGRMAPTGPR35POLB
SCHEMBL31108692 0.85 PGR (0.48) TDP1PGRMAPTGPR35POLB
SCHEMBL9483715 0.78 GPR35 (0.42) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL12559695 0.78 POLB (0.42) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL256723 0.76 MAPT (0.45) TDP1MAPTGPR35KMT2A
SCHEMBL8873079 0.75 TDP1 (0.40) NPC1TDP1MAPTGPR35POLB
SCHEMBL3939120 0.74 POLB (0.49) TDP1MAPTGPR35POLBS100A4
SCHEMBL8129299 0.73 CYP11B1 (0.53) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL7604948 0.73 MAPT (0.47) TDP1MAPTGPR35S100A4KMT2A
SCHEMBL13545419 0.73 BRD4 (0.49) TDP1MAPTGPR35POLBS100A4

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
CN-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 CN 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 KIF11 3440/4885NPC1 2542/4885MAPK13 1450/4885

“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.