SCHEMBL4311999

SCHEMBL4311999

CN(C)c1ccc(C(Cn2ncnn2)OC(N)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
GAA P10253 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP1 P09874 2/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 3/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL4318298 0.86 POLB (0.33) POLB
SCHEMBL4308608 0.85 POLB (0.36) POLBKDM4E
SCHEMBL4312848 0.84 ADRB1 (0.43) ALDH1A1PARP1KMT2A
SCHEMBL13667375 0.84 CYP19A1 (0.41) POLB
SCHEMBL4312862 0.84 CYP19A1 (0.41) POLB
SCHEMBL13667373 0.84 CYP19A1 (0.41) POLB
SCHEMBL23307859 0.84 ADRB1 (0.39)
SCHEMBL4311442 0.84 ADRB1 (0.39)
SCHEMBL4304423 0.83 LMNA (0.36) ALDH1A1FFAR1KDM4E
SCHEMBL4312963 0.81 KIF11 (0.38) PARP1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879873-B1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2013-10-09 EP disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 US disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO 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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 ALDH1A1 1039/4885GAA 299/4885L3MBTL1 3943/4885

“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.