SCHEMBL7683746

SCHEMBL7683746

COc1cccc(C(=O)c2cc3c(n2C)CC(=O)O3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 5/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.42
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
MAPT P10636 1/20 0.42
PARP1 P09874 1/20 0.42
STS P08842 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7678182 0.87 ALDH1A1 (0.43) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7678702 0.84 MAOA (0.41) BRPF1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL7676782 0.78 ALDH1A1 (0.40) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL7676913 0.77 HTT (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7676820 0.75 HRH3 (0.37) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7677935 0.71 L3MBTL1 (0.41) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8045716 0.70 MAPT (0.44) BRPF1MEN1KMT2AALDH1A1GAA
SCHEMBL4823687 0.70 CES2 (0.77) CES2CES1MEN1KMT2ANPC1
SCHEMBL31414638 0.70 CES2 (0.77) CES2CES1MEN1KMT2ANPC1
SCHEMBL7681927 0.69 SMN1; SMN2 (0.49) MEN1KMT2AALDH1A1RAB9AL3MBTL1

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 BRPF1 1435/4885CES2 4003/4885CES1 2085/4885

“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.