SCHEMBL3592020

SCHEMBL3592020

COC(=O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
MAPK1 P28482 6/20 0.51
TDP1 Q9NUW8 5/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
ALDH1A1 P00352 4/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 3/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2C19 P33261 1/20 0.48
PKM P14618 1/20 0.47
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MEN1 O00255 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
SCHEMBL3988345 0.86 MAPT (0.54) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL8742131 0.86 MAPT (0.54) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL23123715 0.81 NPSR1 (0.60) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL15257085 0.81 MAPT (0.53) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL3592382 0.77 TDP1 (0.63) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL8882680 0.77 L3MBTL1 (0.48) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL16508606 0.76 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL18473647 0.75 MAPT (0.48) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9164744 0.75 POLB (0.60) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL27262132 0.75 POLB (0.60) MAPTMAPK1TDP1L3MBTL1ALDH1A1

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-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

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 MAPT 4758/4885MAPK1 1102/4885TDP1 4591/4885

“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.