SCHEMBL4306515

SCHEMBL4306515

NC(=O)OC(COc1ccc(Cl)cc1Cl)Cn1ncnn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALOX12 P18054 1/20 0.37
MEN1 O00255 1/20 0.36
IDE P14735 1/20 0.36
XBP1 P17861 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL4304481 0.92 POLB (0.35) SMN1; SMN2HTTLMNATSHRGAA
SCHEMBL4311700 0.87 POLB (0.43) CYP1A2TDP1HPGDSMN1; SMN2HTT
SCHEMBL4309847 0.87 CYP1A2 (0.44) CYP1A2CYP2D6TDP1HPGDSMN1; SMN2
SCHEMBL4304641 0.84 CYP1A2 (0.45) CYP1A2LMNATSHR
SCHEMBL4314433 0.82 POLB (0.35) CYP1A2SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4311461 0.78 POLB (0.37) CYP1A2CYP2D6TDP1SMN1; SMN2HTT
SCHEMBL13667440 0.78 POLB (0.37) CYP1A2CYP2D6TDP1SMN1; SMN2HTT
SCHEMBL13667434 0.78 POLB (0.37) CYP1A2CYP2D6TDP1SMN1; SMN2HTT
SCHEMBL4314093 0.77 CCR3 (0.37) CYP1A2CYP2D6TSHRMEN1KMT2A
SCHEMBL4313007 0.76 POLB (0.37) LMNARAB9AMEN1KMT2A

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 CYP1A2 266/4885CYP2D6 676/4885TDP1 873/4885

“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.