SCHEMBL4250844

SCHEMBL4250844

CCCCN1CCN(c2cc([N+](=O)[O-])ccc2O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.49
MAPT P10636 6/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KCNJ1 P48048 1/20 0.45
HIF1A Q16665 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
ADRA1B P35368 1/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4256046 0.83 DRD2 (0.60) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL6945690 0.79 SIRT6 (0.65) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL11589952 0.78 GAA (0.62) GAALMNAALDH1A1HPGDMAPT
SCHEMBL25607632 0.77 LMNA (0.62) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL4252010 0.76 LMNA (0.47) GAALMNAALDH1A1KDM4EKMT2A
SCHEMBL25607591 0.75 LMNA (0.63) GAALMNAALDH1A1MAPTKMT2A
SCHEMBL30879365 0.74 ALDH1A1 (0.58) GAALMNAALDH1A1KDM4EHPGD
SCHEMBL2730000 0.74 KDM4E (0.63) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL4858263 0.73 LMNA (0.49) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL1815824 0.72 ALDH1A1 (0.59) GAALMNAALDH1A1KDM4EMAPT

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
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
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 GAA 4871/4885LMNA 3467/4885ALDH1A1 305/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 GAA 4876/4885LMNA 3212/4885ALDH1A1 309/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 GAA 4880/4885LMNA 4801/4885ALDH1A1 617/4885

“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.