SCHEMBL7682189

SCHEMBL7682189

O=C(O)Cc1ccc(C(=O)c2ccc(Cl)cc2)n1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.49
ABCB11 O95342 1/20 0.49
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CXCL8 P10145 1/20 0.47
AKR1B1 P15121 1/20 0.47
PTGS1 P23219 1/20 0.47
GLO1 Q04760 1/20 0.47
CNR2 P34972 2/20 0.44
CCR2 P41597 1/20 0.42
HPGD P15428 1/20 0.42
ADORA1 P30542 1/20 0.41
NR4A1 P22736 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
Methane SCHEMBL7674451 0.99 PTGS2 (0.48) PTGS2ABCB11MAPTL3MBTL1CXCL8
SCHEMBL7675533 0.92 AKR1B1 (0.48) PTGS2ABCB11MAPTCXCL8AKR1B1
SCHEMBL11811275 0.90 CNR2 (0.46) PTGS2ABCB11MAPTL3MBTL1CNR2
SCHEMBL8726700 0.89 PTGS1 (0.47) PTGS2ABCB11CXCL8AKR1B1PTGS1
SCHEMBL7685415 0.88 PTGS2 (0.46) PTGS2ABCB11MAPTL3MBTL1CXCL8
SCHEMBL11805564 0.87 HDAC6 (0.44) MAPTL3MBTL1CNR2CCR2NR4A1
Ethane SCHEMBL7676908 0.86 PTGS2 (0.47) PTGS2ABCB11MAPTL3MBTL1CXCL8
SCHEMBL11818455 0.84 CNR2 (0.44) PTGS2ABCB11MAPTL3MBTL1CNR2
SCHEMBL7678055 0.83 PTGS2 (0.54) PTGS2ABCB11MAPTCXCL8AKR1B1
SCHEMBL11807122 0.83 CNR2 (0.43) MAPTL3MBTL1CNR2HPGDSMN1; 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 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 PTGS2 887/4885ABCB11 2317/4885MAPT 4570/4885

“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.