SCHEMBL4992270

SCHEMBL4992270

NC1NC(=O)Cc2ccc(Cc3ccccc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
ANPEP P15144 2/20 0.37
HTR2A P28223 1/20 0.36
IDH1 O75874 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
XDH P47989 1/20 0.35
PLA2G10 O15496 1/20 0.35
PLA2G2A P14555 1/20 0.35
HNF4A P41235 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL28816482 0.76 SMN1; SMN2 (0.54) SMN1; SMN2ANPEPHTR2A
SCHEMBL7418174 0.74 TDP2 (0.39) SMN1; SMN2HTR2A
SCHEMBL12044054 0.73 AHR (0.53) PARP11
SCHEMBL18010818 0.71 TDP2 (0.63) PARP11
SCHEMBL6904021 0.70 AHR (0.53) PARP11HTR2A
SCHEMBL19978162 0.70 HTR1A (0.43) PARP11HTR2AIDH1
SCHEMBL4991062 0.69 PARP11 (0.48) PARP11ANPEPIDH1XDHPLA2G10
SCHEMBL31040985 0.66 PARP11 (0.54) PARP11SMN1; SMN2IDH1HNF4A
SCHEMBL6901227 0.66 CALM1 (0.50) PARP11SMN1; SMN2HTR2AIDH1PLA2G10
SCHEMBL28375633 0.65 CALM1 (0.44) PARP11IDH1HNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390801-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 US disclosed
US-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one THORSETT EUGENE D 2007-08-30 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-20070203108-A1 Alzheimer's disease; 5-{N'-(4-thianaphthenacetyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one APP, BACE1, PSEN1 PARP11 2957/4885SMN1; SMN2 1975/4885ANPEP 13/4885

“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.