SCHEMBL7678142

SCHEMBL7678142

N#CCc1ccc(C(=O)c2ccc(Cl)cc2)n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.40
CCR2 P41597 2/20 0.40
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 3/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL7675498 0.92 MEN1 (0.50) CNR2MEN1TSHRKMT2AMAPT
SCHEMBL7682239 0.89 KMT2A (0.43) MEN1TSHRKMT2AMAPTALDH1A1
SCHEMBL7678957 0.84 MAPK1 (0.47) CNR2MEN1TSHRKMT2AMAPT
SCHEMBL7678477 0.83 SMN1; SMN2 (0.43) MEN1TSHRKMT2ACNR1CCR2
SCHEMBL7681044 0.83 MEN1 (0.43) MEN1TSHRKMT2AMAPTCCR2
SCHEMBL7674826 0.83 HTT (0.40) CNR2TSHRMAPTL3MBTL1ALDH1A1
SCHEMBL7682189 0.83 PTGS2 (0.49) CNR2MAPTL3MBTL1CCR2ADORA1
Methane SCHEMBL7674451 0.82 PTGS2 (0.48) CNR2MAPTL3MBTL1CCR2ADORA1
SCHEMBL11811275 0.81 CNR2 (0.46) CNR2MEN1TSHRKMT2AMAPT
SCHEMBL11805564 0.79 HDAC6 (0.44) CNR2MEN1KMT2AMAPTL3MBTL1

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 CNR2 4197/4885MEN1 180/4885TSHR 2892/4885

“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.