SCHEMBL7679380

SCHEMBL7679380

CCCCc1cc(CC(=O)OCC)n(C)c1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 5/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
AR P10275 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HTT P42858 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL7681018 0.85 LMNA (0.51) LMNAKDM4EALDH1A1TDP1KCNJ1
SCHEMBL7678235 0.83 TDP1 (0.38) LMNAALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL7685213 0.81 CYP2C19 (0.42) LMNAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL7680742 0.76 HPGD (0.52) LMNAKDM4EALDH1A1TDP1KCNJ1
SCHEMBL7678562 0.75 PTGS2 (0.57) LMNAALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL7678859 0.72 PTGS2 (0.69) LMNAKDM4EALDH1A1TDP1MAPT
SCHEMBL11813172 0.71 KCNJ1 (0.47) LMNAKDM4EALDH1A1KCNJ1KCNH2
SCHEMBL11817277 0.71 ALDH1A1 (0.52) LMNAKDM4EALDH1A1TDP1KCNJ1
SCHEMBL7674536 0.71 PTGS2 (0.57) LMNAKDM4EALDH1A1TDP1MAPT
SCHEMBL11818980 0.71 ABCB11 (0.54) LMNAKDM4EALDH1A1TDP1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 US disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A LMNA 2230/4885KDM4E 1130/4885ALDH1A1 208/4885

“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.