SCHEMBL4309173

SCHEMBL4309173

COc1ccc(C(=O)C2CCN(C(=O)OC(Cn3ncnn3)c3ccccc3Cl)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HSD11B1 P28845 1/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
SLC18A3 Q16572 2/20 0.40
TNKS O95271 2/20 0.40
PARP1 P09874 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL4309717 0.91 MGLL (0.46) MGLLKMT2AMEN1
SCHEMBL4318842 0.91 MGLL (0.42) MGLLPOLBALDH1A1HSD11B1KMT2A
SCHEMBL4310209 0.90 HSD11B1 (0.48) MGLLPOLBALDH1A1SMN1; SMN2HSD11B1
SCHEMBL4314273 0.88 SMN1; SMN2 (0.45) MGLLPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL4312834 0.83 CYP3A4 (0.39) ALDH1A1SMN1; SMN2KMT2ACYP2C9CYP2C19
SCHEMBL4311381 0.82 POLB (0.39) MGLLPOLBLMNACYP2C9CYP2C19
SCHEMBL4315951 0.82 POLB (0.37) MGLLPOLBCYP2C9CYP2C19CYP3A4
SCHEMBL4316498 0.81 HSD11B1 (0.46) MGLLPOLBSMN1; SMN2HSD11B1GAA
SCHEMBL4311892 0.81 HSD11B1 (0.46) MGLLPOLBALDH1A1SMN1; SMN2HSD11B1
SCHEMBL4313590 0.81 POLB (0.37) POLBKMT2AGAACHRM2MEN1

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 MGLL 2866/4885POLB 4187/4885ALDH1A1 1039/4885

“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.