SCHEMBL7682181

SCHEMBL7682181

CCOC(=O)Cc1cc(C)c(C(=O)c2ccc(C#N)cc2)n1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
ABCB11 O95342 1/20 0.52
PTGS2 P35354 1/20 0.52
CYP1A2 P05177 1/20 0.52
DNTT P04053 1/20 0.39
ELANE P08246 2/20 0.38
MAPT P10636 3/20 0.38
USP14 P54578 2/20 0.36
SLC34A1 Q06495 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL7674536 0.87 PTGS2 (0.57) ALDH1A1SMN1; SMN2TDP1LMNATSHR
SCHEMBL7677997 0.85 PTGS2 (0.70) ALDH1A1SMN1; SMN2TDP1LMNATSHR
SCHEMBL7678235 0.85 TDP1 (0.38) ALDH1A1SMN1; SMN2TDP1LMNATSHR
SCHEMBL11810469 0.84 ABCB11 (0.55) ALDH1A1SMN1; SMN2TDP1LMNATSHR
SCHEMBL7676885 0.84 PTGS2 (0.55) ALDH1A1SMN1; SMN2TDP1LMNATSHR
SCHEMBL7675690 0.84 PTGS2 (0.73) ALDH1A1SMN1; SMN2TDP1LMNATSHR
SCHEMBL7464815 0.84 PTGS2 (0.57) ALDH1A1SMN1; SMN2TDP1LMNATSHR
SCHEMBL7680907 0.81 ABCB11 (0.52) ALDH1A1SMN1; SMN2TDP1LMNATSHR
SCHEMBL7675618 0.81 CXCL8 (0.52) ALDH1A1TDP1PTGS2DNTTELANE
SCHEMBL7681018 0.81 LMNA (0.51) ALDH1A1SMN1; SMN2TDP1LMNATSHR

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 ALDH1A1 208/4885SMN1; SMN2 2392/4885TDP1 925/4885

“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.