SCHEMBL7678957

SCHEMBL7678957

CCOc1ccc(C(=O)c2ccc(CC#N)n2Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.41
OPRK1 P41145 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL11486479 0.86 KMT2A (0.45) MAPK1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL7675498 0.86 MEN1 (0.50) LMNACNR2SMN1; SMN2MAPTNPC1
SCHEMBL7685429 0.85 MAPK1 (0.49) MAPK1PKMLMNAL3MBTL1CNR1
Methane SCHEMBL7684820 0.84 MAPK1 (0.48) MAPK1PKMLMNAL3MBTL1CNR1
SCHEMBL7678142 0.84 CNR2 (0.45) LMNAL3MBTL1CNR1CNR2SMN1; SMN2
SCHEMBL7682239 0.83 KMT2A (0.43) MAPK1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL7681044 0.80 MEN1 (0.43) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7684815 0.78 MAPK1 (0.48) MAPK1PKMLMNAL3MBTL1CNR1
SCHEMBL7680952 0.77 ALDH1A1 (0.43) LMNASMN1; SMN2MAPTRAB9AKMT2A
SCHEMBL11806998 0.76 MAPK1 (0.47) MAPK1PKMLMNAL3MBTL1CNR1

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 MAPK1 1365/4885PKM 4613/4885LMNA 2230/4885

“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.