SCHEMBL3596541

SCHEMBL3596541

O=C1Nc2cc([N+](=O)[O-])ccc2CN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.47
MAPK3 P27361 1/20 0.47
KAT2B Q92831 1/20 0.47
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP4 P49662 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.44
ACHE P22303 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TLR9 Q9NR96 1/20 0.42
EPHX2 P34913 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42

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
SCHEMBL3593079 0.79 MAPK1 (0.51) MAPK1MAPK3MEN1KMT2AACHE
SCHEMBL10672127 0.78 ACHE (0.62) MAPK1MAPK3MEN1KMT2AACHE
SCHEMBL3607837 0.77 AKR1B1 (0.44) MEN1KMT2ARAB9AACHEALDH1A1
SCHEMBL13382916 0.76 MAPK1 (0.48) MAPK1MAPK3ACHEEPHX2DDB1
SCHEMBL3603566 0.76 CASP1 (0.46) KAT2BCASP1CASP3CASP4CASP7
SCHEMBL30638850 0.75 MEN1 (0.42) MAPK1KAT2BMEN1KMT2AALDH1A1
SCHEMBL8558798 0.74 CASP1 (0.50) MAPK1KAT2BCASP1CASP3CASP4
SCHEMBL3604229 0.74 BRD4 (0.53) CASP3MEN1KMT2ARAB9AALDH1A1
SCHEMBL1997187 0.73 MAPT (0.50) MAPK1MEN1KMT2ARAB9AACHE
SCHEMBL8177410 0.73 DRD2 (0.49) MAPK1CASP1CASP3CASP4CASP7

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 MAPK1 1102/4885MAPK3 485/4885KAT2B 368/4885

“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.