SCHEMBL4522152

SCHEMBL4522152

Cc1cc(Br)c([N+](=O)[O-])c(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.38
HTT P42858 4/20 0.38
LMNA P02545 4/20 0.38
TDP1 Q9NUW8 5/20 0.36
NQO2 P16083 1/20 0.36
CYP1A2 P05177 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MITF O75030 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL31128165 1.00 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8884172 0.85 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28720365 0.81 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28295982 0.81 MAPT (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31128153 0.79 LMNA (0.45) ALDH1A1MAPTHTTLMNATDP1
SCHEMBL31128150 0.79 LMNA (0.45) ALDH1A1MAPTHTTLMNATDP1
SCHEMBL10394091 0.77 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23629187 0.70 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3211912 0.70 S1PR4 (0.41) ALDH1A1MAPTHTTLMNANQO2
SCHEMBL25037220 0.70 GPR35 (0.53) ALDH1A1MAPTTDP1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US claimed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US claimed
EP-1571144-A1 HYDROXYALKYLATED CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2005-09-07 EP claimed
US-20040176593-A1 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2004-09-09 US claimed
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
US-7176306-B2 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2007-02-13 US disclosed
US-7176306-B2 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2007-02-13 US disclosed
US-7176306-B2 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2007-02-13 US disclosed
EP-1571144-A1 HYDROXYALKYLATED CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2005-09-07 EP disclosed
US-20040176593-A1 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2004-09-09 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 (2 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-20040176593-A1 Hydroxyalkyl cyclic diamine compound DDC, AOC1, ODC1 GRIN2D 3384/4885GRIN3B 2375/4885GRIN1 2103/4885
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS HDHD5, DDC, DDT GRIN2D 3109/4885GRIN3B 1981/4885GRIN1 2332/4885

“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.