SCHEMBL2608378

SCHEMBL2608378

CC(C)(C)C(=O)c1cc(C(C)(C)C)cn1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CYP1A2 P05177 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL16376924 0.70 GABRA1 (0.41) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL6899346 0.67 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL25973301 0.66 POLB (0.38) MEN1KMT2AGABRA1GABRB2
SCHEMBL3737182 0.65 GRN (0.46) MEN1KMT2A
SCHEMBL13043834 0.65 KDM4E (0.34) ACHEMEN1KMT2AHDAC8GABRA1
SCHEMBL23957950 0.64 MEN1 (0.37) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL20668712 0.64 CDK8 (0.47)
SCHEMBL27420023 0.63 ACHE (0.46) ACHEMEN1KMT2AGABRA1GABRB2
SCHEMBL17479946 0.63 GABRA1 (0.48) ACHEMEN1KMT2AHDAC8GABRA1
SCHEMBL13451744 0.63 APP (0.41) KMT2ANPSR1HDAC4HDAC2HDAC8

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-8163693-B2 Urea-containing peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2009-03-26 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-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, SLC14A1, RPL35 ACHE 4633/4885MEN1 1616/4885KMT2A 4034/4885

“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.