SCHEMBL7683436

SCHEMBL7683436

Cn1c(CC#N)ccc1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.51
AKR1B1 P15121 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
GLO1 Q04760 1/20 0.51
HPGD P15428 2/20 0.46
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
HDAC10 Q969S8 2/20 0.44
PGR P06401 1/20 0.43
LMNA P02545 2/20 0.39
RECQL P46063 2/20 0.39
ALOX12 P18054 1/20 0.39
TSHR P16473 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 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
SCHEMBL3991644 0.87 CXCL8 (0.65) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7675830 0.85 PTGS2 (0.49) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7678846 0.85 CXCL8 (0.49) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7679096 0.85 CXCL8 (0.49) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7685418 0.85 CXCL8 (0.49) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7676759 0.84 HRH3 (0.41) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7675564 0.83 CXCL8 (0.47) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL11375273 0.83 LMNA (0.52) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7680952 0.82 ALDH1A1 (0.43) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7674884 0.82 CXCL8 (0.46) CXCL8AKR1B1PTGS1PTGS2GLO1

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 CXCL8 3828/4885AKR1B1 346/4885PTGS1 442/4885

“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.