SCHEMBL4907435

SCHEMBL4907435

CC(C)(C)OC(=O)NCc1nc(CO)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNA1C Q13936 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
KDM4A O75164 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
BCHE P06276 1/20 0.38
GRM2 Q14416 1/20 0.38
CYP1A2 P05177 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AGTR1 P30556 1/20 0.36

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
SCHEMBL4909502 0.89 CACNA1H (0.45) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4E
SCHEMBL4908857 0.81 L3MBTL1 (0.41) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4E
SCHEMBL2173761 0.81 CACNA1H (0.45) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4E
SCHEMBL4912266 0.80 CACNA1H (0.44) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4E
SCHEMBL18775082 0.78 L3MBTL1 (0.41) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4E
SCHEMBL24739273 0.77 L3MBTL1 (0.44) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4E
SCHEMBL15125242 0.77 L3MBTL1 (0.41) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4E
SCHEMBL1927572 0.77 HDAC1 (0.45) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4A
SCHEMBL18329395 0.75 CACNA1H (0.51) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4A
SCHEMBL15244395 0.75 CACNA1B (0.56) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4E

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 CACNA1H 2827/4885CACNA1B 3076/4885CACNA1C 3304/4885

“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.