SCHEMBL4313007

SCHEMBL4313007

NC(=O)OC(Cn1ncnn1)c1cc(Cl)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
AVPR2 P30518 4/20 0.33
AVPR1A P37288 4/20 0.33
PLA2G1B P04054 1/20 0.33
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
F10 P00742 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 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
SCHEMBL13667440 0.91 POLB (0.37) POLBLMNAMEN1KMT2A
SCHEMBL4311461 0.91 POLB (0.37) POLBLMNAMEN1KMT2A
SCHEMBL13667434 0.91 POLB (0.37) POLBLMNAMEN1KMT2A
Cenobamate SCHEMBL1682643 0.86 POLB (0.46) POLBAVPR2AVPR1A
Cenobamate SCHEMBL13667363 0.86 POLB (0.46) POLBAVPR2AVPR1A
Cenobamate SCHEMBL29410391 0.86 POLB (0.46) POLBAVPR2AVPR1A
Cenobamate SCHEMBL4308624 0.86 POLB (0.46) POLBAVPR2AVPR1A
SCHEMBL4309837 0.85 AVPR2 (0.35) POLBAVPR2AVPR1ALMNAPKM
SCHEMBL4312862 0.83 CYP19A1 (0.41) POLBF10
SCHEMBL13667373 0.83 CYP19A1 (0.41) POLBF10

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 4187/4885AVPR2 3542/4885AVPR1A 3175/4885

“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.