SCHEMBL4909506

SCHEMBL4909506

CC(C)(C)OC(=O)C(N)n1cnc(CN)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 10/20 0.32
CPB1 P15086 6/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4907438 0.89 HTT (0.32) CPB2CPB1HTTATMLMNA
Hydrochloric Acid SCHEMBL28536680 0.79 CPB2 (0.32) CPB2CPB1
SCHEMBL4912275 0.78 HTT (0.32) HTTATMLMNAKMT2A
Hydrochloric Acid SCHEMBL30280624 0.74 CPB2 (0.34) CPB2CPB1KMT2APOLBNPSR1
SCHEMBL24621004 0.71 KDM4E (0.39) CPB2CPB1KMT2A
SCHEMBL31352606 0.68 CYP2C9 (0.38) CPB2TDP1
SCHEMBL30786466 0.67 CPB2 (0.37) CPB2CPB1
SCHEMBL2585024 0.67 LMNA (0.34) LMNAKMT2APOLBNPSR1TDP1
SCHEMBL7488160 0.66 SLC7A5 (0.42) CPB2CPB1
SCHEMBL8117391 0.66 LNPEP (0.33) LMNAKMT2A

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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 CPB2 1197/4885CPB1 1655/4885HTT 3944/4885

“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.