SCHEMBL4304481

SCHEMBL4304481

NC(=O)OC(COc1cc(Cl)ccc1Cl)Cn1ncnn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
PLA2G1B P04054 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HDAC8 Q9BY41 2/20 0.33
PTGER1 P34995 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4306515 0.92 CYP1A2 (0.41) MEN1KMT2ALMNATSHRHTT
SCHEMBL4311700 0.87 POLB (0.43) POLBMEN1KMT2AALDH1A1TSHR
SCHEMBL4304641 0.84 CYP1A2 (0.45) POLBLMNATSHR
SCHEMBL4314433 0.84 POLB (0.35) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL4309847 0.78 CYP1A2 (0.44) LMNATSHRHTTSMN1; SMN2MRGPRX4
SCHEMBL4313007 0.78 POLB (0.37) POLBPLA2G1BMEN1KMT2ALMNA
SCHEMBL13667440 0.76 POLB (0.37) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL13667434 0.76 POLB (0.37) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL4311461 0.76 POLB (0.37) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL4311339 0.75 SPR (0.43) MEN1KMT2AALDH1A1LMNATSHR

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 4187/4885PLA2G1B 4397/4885MEN1 1549/4885

“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.