SCHEMBL7675745

SCHEMBL7675745

COC(=O)Cc1ccc(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
CXCL8 P10145 1/20 0.43
AKR1B1 P15121 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
GLO1 Q04760 1/20 0.43
ALOX5 P09917 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 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
SCHEMBL9031823 0.89 HPGD (0.51) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL7678128 0.86 PTGS2 (0.59) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL11371392 0.78 CXCL8 (0.57) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL7680891 0.78 TUBB4A (0.46) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL7680742 0.77 HPGD (0.52) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL3999226 0.77 CXCL8 (0.72) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL11811415 0.76 PTGS1 (0.55) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL4601841 0.76 CXCL8 (0.55) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL11810708 0.76 PTGS2 (0.55) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL4600380 0.75 HPGD (0.52) HPGDCXCL8AKR1B1PTGS1PTGS2

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 HPGD 363/4885CXCL8 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.