SCHEMBL1911241

SCHEMBL1911241

C[C@]1(O)C(NCc2ccccc2)C[C@H](c2ccncc2[N+](=O)[O-])O[C@@H]1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
GRIN2B Q13224 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
BACE1 P56817 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.31
KDM1A O60341 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ROCK2 O75116 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL1911232 0.89 ALDH1A1 (0.34) MEN1KMT2AHTTGRIN2BALDH1A1
SCHEMBL1910829 0.87 ALDH1A1 (0.33) MEN1KMT2AHTTGRIN2BALDH1A1
SCHEMBL319340 0.82 ALDH1A1 (0.33) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL1911093 0.82 ALDH1A1 (0.33) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL10278769 0.81 MEN1 (0.33) MEN1KMT2AHTTGRIN2BALDH1A1
SCHEMBL10278570 0.81 ALDH1A1 (0.34) MEN1KMT2AHTTGRIN2BALDH1A1
SCHEMBL318488 0.80 MEN1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL14902753 0.80 MEN1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL14902760 0.80 MEN1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL319625 0.80 MEN1 (0.35) MEN1KMT2AHTTGRIN2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B MEN1 2862/4885KMT2A 691/4885HTT 4550/4885

“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.