SCHEMBL3313852

SCHEMBL3313852

COc1cc(OCCN2CCNCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
ALDH1A1 P00352 7/20 0.62
TP53 P04637 1/20 0.62
MAPT P10636 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
GAA P10253 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 1/20 0.53
LTA4H P09960 3/20 0.51
PTGS1 P23219 2/20 0.51
PTGS2 P35354 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.47
SIRT6 Q8N6T7 1/20 0.47
CHEK1 O14757 1/20 0.47
DRD3 P35462 1/20 0.46

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
SCHEMBL1964818 0.89 KDM4E (0.66) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL2205189 0.88 SIRT6 (0.58) KDM4EALDH1A1TP53TDP1MEN1
SCHEMBL3318509 0.88 KDM4E (0.56) KDM4EALDH1A1TP53TDP1MEN1
SCHEMBL1962920 0.88 KDM4E (0.67) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL375580 0.86 KDM4E (0.68) KDM4EALDH1A1MAPTTDP1MEN1
SCHEMBL29788583 0.86 KDM4E (0.68) KDM4EALDH1A1MAPTTDP1MEN1
SCHEMBL21814293 0.83 KDM4E (0.59) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29380601 0.83 KDM4E (0.59) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2209146 0.82 SIRT6 (0.57) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL1697621 0.80 MAPT (0.67) ALDH1A1MAPTTDP1GAAMEN1

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS KDM4E 2169/4885ALDH1A1 649/4885TP53 563/4885

“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.