SCHEMBL4313087

SCHEMBL4313087

NC(=O)OC(Cn1ncnn1)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.37
ADRA1D P25100 1/20 0.37
AOC3 Q16853 1/20 0.36
IDO1 P14902 1/20 0.36
DCAF1 Q9Y4B6 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AKT1 P31749 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
AURKA O14965 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4321654 0.86 AOC3 (0.37) POLBAOC3
SCHEMBL13667375 0.85 CYP19A1 (0.41) POLB
SCHEMBL4308035 0.85 ADRA1D (0.39) ADRA1DAOC3IDO1DCAF1AURKA
SCHEMBL4312862 0.85 CYP19A1 (0.41) POLB
SCHEMBL13667373 0.85 CYP19A1 (0.41) POLB
SCHEMBL23307859 0.85 ADRB1 (0.39)
SCHEMBL4311442 0.85 ADRB1 (0.39)
SCHEMBL13667425 0.85 SLC6A2 (0.42) POLBRPS6KB1AURKA
SCHEMBL13667415 0.85 SLC6A2 (0.42) POLBRPS6KB1AURKA
SCHEMBL4310558 0.85 SLC6A2 (0.42) POLBRPS6KB1AURKA

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 PLA2G1B 4397/4885POLB 4187/4885ADRA1D 2300/4885

“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.