SCHEMBL7680795

SCHEMBL7680795

CCOC(=O)C(C)c1cc(C)c(C(=O)c2cccc(Cl)c2)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.44
PTGS2 P35354 1/20 0.44
ELANE P08246 1/20 0.41
LMNA P02545 4/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
POLB P06746 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
SCHEMBL7681936 0.88 PTGS2 (0.44) ABCB11PTGS2LMNASMN1; SMN2KMT2A
SCHEMBL7680326 0.88 MEN1 (0.44) ABCB11PTGS2ELANELMNASMN1; SMN2
SCHEMBL7678100 0.87 ABCB11 (0.58) ABCB11PTGS2LMNASMN1; SMN2KMT2A
SCHEMBL7681736 0.82 PTGS2 (0.45) ABCB11PTGS2LMNASMN1; SMN2KMT2A
SCHEMBL7676839 0.80 ABCB11 (0.43) ABCB11PTGS2LMNASMN1; SMN2KMT2A
SCHEMBL7684741 0.80 SMN1; SMN2 (0.40) ABCB11PTGS2LMNASMN1; SMN2KMT2A
SCHEMBL11716750 0.79 MAPT (0.43) PTGS2LMNASMN1; SMN2KMT2AMAPT
SCHEMBL7676850 0.79 CYP2C19 (0.48) LMNASMN1; SMN2MAPTMAPK1HPGD
SCHEMBL7685385 0.79 ABCB11 (0.55) ABCB11PTGS2ELANELMNATP53
SCHEMBL11716406 0.78 HRH3 (0.43) ELANELMNATP53SMN1; SMN2KMT2A

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 ABCB11 2317/4885PTGS2 887/4885ELANE 1668/4885

“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.