SCHEMBL1911252

SCHEMBL1911252

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.38
KDM1A O60341 7/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33
CTSB P07858 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33

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
SCHEMBL1911223 0.88 FUCA1 (0.42) FUCA1KDM1AMAOAMAOBMEN1
SCHEMBL319206 0.88 FUCA1 (0.42) FUCA1KDM1AMAOAMAOBMEN1
SCHEMBL319229 0.86 FUCA1 (0.39) FUCA1KDM1AMAOAMAOBMEN1
SCHEMBL10278488 0.86 FUCA1 (0.39) FUCA1KDM1AMAOAMAOBMEN1
SCHEMBL319110 0.86 FUCA1 (0.38) FUCA1KDM1AMAOAMAOBMEN1
SCHEMBL1911145 0.86 FUCA1 (0.38) FUCA1KDM1AMAOAMAOBMEN1
SCHEMBL12503269 0.85 FUCA1 (0.36) FUCA1KDM1AMAOAMAOBMEN1
SCHEMBL1911139 0.85 FUCA1 (0.36) FUCA1KDM1AMAOAMAOBMEN1
SCHEMBL1910730 0.85 FUCA1 (0.36) FUCA1KDM1AMAOAMAOBMEN1
SCHEMBL1910827 0.81 MEN1 (0.35) MEN1KMT2AALDH1A1HTTGAA

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 FUCA1 3199/4885KDM1A 640/4885MAOA 3046/4885

“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.