SCHEMBL4308700

SCHEMBL4308700

NC(=O)OC(Cc1ccccc1)Cn1ncnn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
SRR Q9GZT4 3/20 0.36
EPHX1 P07099 1/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PTGS2 P35354 1/20 0.34
PSAT1 Q9Y617 1/20 0.33
MAPT P10636 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
LTA4H P09960 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL4311442 0.79 ADRB1 (0.39)
SCHEMBL23307859 0.79 ADRB1 (0.39)
SCHEMBL4309927 0.77 HMOX1 (0.47) SRREPHX1ALPIPKMPTGS1
SCHEMBL4306655 0.75 ALOX5 (0.45)
SCHEMBL4310159 0.73 SCN4A (0.38)
SCHEMBL4311670 0.73 ADRB1 (0.46)
SCHEMBL375856 0.73 SRR (0.47) SRREPHX1ALPIPKMPTGS1
SCHEMBL29011373 0.73 SRR (0.47) SRREPHX1ALPIPKMPTGS1
SCHEMBL29011372 0.73 SRR (0.47) SRREPHX1ALPIPKMPTGS1
SCHEMBL28432031 0.73 SRR (0.47) SRREPHX1ALPIPKMPTGS1

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 POLB 4187/4885SRR 3566/4885EPHX1 1524/4885

“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.