SCHEMBL7682350

SCHEMBL7682350

CCOC(=O)C(C)c1cc(C)c(C(=O)c2cc(Br)cc(Br)c2Br)n1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 2/20 0.31
ABCB11 O95342 1/20 0.31
PTGS2 P35354 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM1A O60341 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL7678995 0.87 HSD17B10 (0.33) HSD17B10
SCHEMBL7684717 0.80
SCHEMBL7684741 0.79 SMN1; SMN2 (0.40) LMNAMAPTKMT2AABCB11PTGS2
SCHEMBL7678257 0.78 ABCB11 (0.39) LMNAMAPTHSD17B10KMT2AABCB11
SCHEMBL7680326 0.77 MEN1 (0.44) LMNAMAPTHSD17B10KMT2AABCB11
SCHEMBL7681736 0.76 PTGS2 (0.45) LMNAMAPTKMT2AABCB11PTGS2
SCHEMBL11614668 0.76 ABCB11 (0.37) LMNAABCB11PTGS2L3MBTL1SMN1; SMN2
SCHEMBL7678318 0.75 PTGS2 (0.53) LMNAHSD17B10ABCB11PTGS2SMN1; SMN2
SCHEMBL7678100 0.74 ABCB11 (0.58) LMNAMAPTKMT2AABCB11PTGS2
SCHEMBL11614894 0.74 ABCB11 (0.41) LMNAABCB11PTGS2SMN1; 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 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 LMNA 2230/4885MAPT 4570/4885HSD17B10 989/4885

“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.