SCHEMBL4311339

SCHEMBL4311339

O=C(OC(COc1cc(Cl)ccc1Cl)Cn1ncnn1)N1CCC(CCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.43
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
FAAH O00519 1/20 0.34
ENPP2 Q13822 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GRIN2B Q13224 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
F11 P03951 1/20 0.32
KLKB1 P03952 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
SCHEMBL4308699 0.85 SPR (0.48) SPRMEN1KMT2AFAAHALDH1A1
SCHEMBL4312902 0.85 SPR (0.45) SPRMEN1KMT2AFAAHENPP2
SCHEMBL4304614 0.83 SPR (0.44) SPRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4310234 0.83 SPR (0.47) SPRMEN1KMT2AFAAHENPP2
SCHEMBL4304826 0.81 MEN1 (0.48) MEN1KMT2AFAAHALDH1A1SMN1; SMN2
SCHEMBL4308693 0.81 SPR (0.44) SPRFAAHENPP2
SCHEMBL4316050 0.80 SPR (0.45) SPRMEN1KMT2AFAAHENPP2
SCHEMBL4306705 0.80 SPR (0.44) SPRFAAHGRIN2B
SCHEMBL4308023 0.79 CCR3 (0.41) MEN1KMT2AFAAHALDH1A1SMN1; SMN2
SCHEMBL4308692 0.78 DRD4 (0.52) MEN1KMT2AFAAHSMN1; SMN2

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 SPR 1671/4885MEN1 1549/4885KMT2A 1096/4885

“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.