SCHEMBL5586295

SCHEMBL5586295

CC(C)(C)CC1NC(=O)c2ccccc2NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 8/20 0.46
TNKS O95271 2/20 0.46
PARP3 Q9Y6F1 2/20 0.46
MGAT2 Q10469 1/20 0.44
PDGFRA P16234 1/20 0.43
FER P16591 1/20 0.43
LTK P29376 1/20 0.43
CDK8 P49336 1/20 0.43
ACVR1 Q04771 1/20 0.43
LRRK2 Q5S007 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
GFER P55789 1/20 0.42
PBRM1 Q86U86 1/20 0.41
BRPF1 P55201 1/20 0.40
CREBBP Q92793 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 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
SCHEMBL5586294 1.00 TNKS2 (0.46) TNKS2TNKSPARP3MGAT2PDGFRA
SCHEMBL5063241 0.83 MGAT2 (0.56) TNKS2TNKSPARP3MGAT2PDGFRA
SCHEMBL8267141 0.80 PDGFRA (0.47) TNKS2MGAT2PDGFRAFERLTK
SCHEMBL9054730 0.77 GFER (0.52) TNKS2MGAT2PDGFRAFERLTK
SCHEMBL8871785 0.77 GFER (0.52) TNKS2MGAT2PDGFRAFERLTK
SCHEMBL8871789 0.77 GFER (0.52) TNKS2MGAT2PDGFRAFERLTK
SCHEMBL17444761 0.76 ALDH1A1 (0.55) TNKS2PDGFRAFERLTKCDK8
SCHEMBL14454673 0.76 ALDH1A1 (0.55) TNKS2PDGFRAFERLTKCDK8
SCHEMBL14454672 0.75 HSD17B10 (0.64) PDGFRAFERLTKCDK8ACVR1
SCHEMBL17061471 0.74 HSD17B10 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 TNKS2 2488/4885TNKS 3196/4885PARP3 1162/4885

“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.