SCHEMBL4256162

SCHEMBL4256162

COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
BACE1 P56817 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NR1H2 P55055 1/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.45
UCHL1 P09936 1/20 0.45
USP30 Q70CQ3 1/20 0.45
CYP2C19 P33261 1/20 0.45
NOTUM Q6P988 1/20 0.45
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL355161 0.88 LMNA (0.53) LMNASMN1; SMN2NPSR1BACE1KMT2A
SCHEMBL17756947 0.87 L3MBTL1 (0.51) LMNASMN1; SMN2NPC1NPSR1KMT2A
SCHEMBL30414220 0.86 LMNA (0.49) LMNASMN1; SMN2NPC1KDM4ERAB9A
SCHEMBL10306695 0.86 KMT2A (0.52) LMNASMN1; SMN2NPC1KDM4ERAB9A
SCHEMBL1479509 0.86 LMNA (0.49) LMNASMN1; SMN2NPC1KDM4ERAB9A
SCHEMBL29902983 0.86 KMT2A (0.52) LMNASMN1; SMN2NPC1KDM4ERAB9A
SCHEMBL354815 0.85 L3MBTL1 (0.57) LMNASMN1; SMN2NPC1KDM4ERAB9A
SCHEMBL103154 0.85 KDM4E (0.67) LMNAPKMSMN1; SMN2NPC1KDM4E
SCHEMBL13816755 0.85 SMN1; SMN2 (0.47) LMNAPKMSMN1; SMN2NPC1KDM4E
SCHEMBL31615949 0.85 KDM4E (0.67) LMNAPKMSMN1; SMN2NPC1KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102040552-A 1, 2-di (cyclic group) substituted benzene derivative EISAI R&D MAN CO LTD 2011-05-04 CN disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
CN-101175723-A 1, 2-di (cyclic group) substituted benzene derivative EISAI R&D MAN CO LTD (JP) 2008-05-07 CN disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP disclosed
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 US 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 (3 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 LMNA 3467/4885PKM 4710/4885SMN1; SMN2 4289/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 LMNA 3212/4885PKM 4717/4885SMN1; SMN2 3987/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 LMNA 4801/4885PKM 4854/4885SMN1; SMN2 1754/4885

“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.