SCHEMBL7678128

SCHEMBL7678128

Cn1c(CC(=O)O)ccc1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.59
CXCL8 P10145 1/20 0.59
AKR1B1 P15121 1/20 0.59
PTGS1 P23219 1/20 0.59
GLO1 Q04760 1/20 0.59
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 4/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CES2 O00748 1/20 0.38

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
SCHEMBL7675749 0.88 CXCL8 (0.68) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7675745 0.86 HPGD (0.44) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8726520 0.82 CXCL8 (0.60) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8732329 0.81 CXCL8 (0.56) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL2237360 0.77 PTGS2 (0.77) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8726489 0.76 PTGS2 (0.62) PTGS2CXCL8AKR1B1PTGS1GLO1
Water SCHEMBL11373887 0.75 HPGD (0.70) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL3150 0.75 PTGS2 (1.00) PTGS2CXCL8AKR1B1PTGS1GLO1
Tolmetin SCHEMBL11325188 0.75 PTGS2 (1.00) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8726561 0.75 PTGS2 (0.78) PTGS2CXCL8AKR1B1PTGS1GLO1

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 4 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

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 PTGS2 887/4885CXCL8 3828/4885AKR1B1 346/4885

“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.