SCHEMBL3592533

SCHEMBL3592533

CCOC(=O)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MAPK1 P28482 4/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KCNMA1 Q12791 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL31657581 0.91 LMNA (0.52) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL1346377 0.91 LMNA (0.52) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3670571 0.86 TOP2A (0.53) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3667228 0.83 MAPT (0.63) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL27893370 0.82 LMNA (0.52) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL9955398 0.82 LMNA (0.52) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL8609188 0.81 MAPT (0.58) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL13405571 0.81 KMT2A (0.48) LMNAMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL13971318 0.80 NLRP3 (0.49) LMNAMAPTALDH1A1TDP1TSHR
SCHEMBL2311231 0.80 MAPT (0.50) LMNAMAPTKDM4EALDH1A1SMN1; SMN2

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-101489989-A Pentadiene amide derivative KYOWA HAKKO KIRIN CO LTD (JP) 2009-07-22 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 LMNA 251/4885MAPT 4758/4885KDM4E 2284/4885

“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.