SCHEMBL4310558

SCHEMBL4310558

NC(=O)OC(Cn1ncnn1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
POLB P06746 1/20 0.38
TNF P01375 1/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AURKA O14965 2/20 0.32
RPS6KB1 P23443 2/20 0.32
CHEK2 O96017 1/20 0.31
KMO O15229 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
SCHEMBL13667415 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3POLBTNF
SCHEMBL13667425 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3POLBTNF
SCHEMBL13667375 0.86 CYP19A1 (0.41) POLB
SCHEMBL13667373 0.86 CYP19A1 (0.41) POLB
SCHEMBL4312862 0.86 CYP19A1 (0.41) POLB
SCHEMBL4309855 0.85 TNF (0.38) SLC6A2SLC6A4SLC6A3TNFALDH1A1
SCHEMBL13667414 0.85 TNF (0.38) SLC6A2SLC6A4SLC6A3TNFALDH1A1
SCHEMBL13667427 0.85 TNF (0.38) SLC6A2SLC6A4SLC6A3TNFALDH1A1
SCHEMBL4313087 0.85 PLA2G1B (0.38) POLBAURKARPS6KB1
SCHEMBL4306576 0.83 RPS6KB1 (0.33) POLBRPS6KB1

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 10 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 claimed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US claimed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 US claimed
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 SLC6A2 243/4885SLC6A4 196/4885SLC6A3 470/4885

“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.