SCHEMBL7674447

SCHEMBL7674447

N#CCc1cccn1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
S1PR2 O95136 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL27700003 0.77 ALDH1A1 (0.50) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL27944822 0.77 ALDH1A1 (0.50) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL1244069 0.76 HDAC8 (0.53) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL11642883 0.76 KDM4E (0.35) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8217059 0.76 HDAC8 (0.49) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL28191937 0.76 HDAC8 (0.49) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL3195611 0.76 HDAC8 (0.49) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL15455737 0.75 CYP11B1 (0.57) CYP11B1CYP11B2
SCHEMBL27936480 0.74 ALDH1A1 (0.47) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL11116599 0.73 CA1 (0.30)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
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 HDAC8 423/4885HDAC6 1138/4885ALDH1A1 208/4885

“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.