SCHEMBL16437014

SCHEMBL16437014

O=COCCCCCC1([N+](=O)[O-])CN(Cc2ccccc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
CPB2 Q96IY4 5/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TMEM97 Q5BJF2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL13254266 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHTTCPB2
SCHEMBL12877532 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHTTLMNA
SCHEMBL491248 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHTTCPB2
SCHEMBL17694061 0.81 CPB2 (0.44) ALDH1A1CPB2GAASIGMAR1
SCHEMBL16311761 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTHTTCPB2
SCHEMBL15267388 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHTTCPB2
SCHEMBL14307503 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHTTCPB2
SCHEMBL3503778 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHTTCPB2
SCHEMBL490877 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHTTCPB2
SCHEMBL491245 0.75 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160106869-A1 FLUORESCENT SOLID LIPID NANOPARTICLES COMPOSITION AND PREPARATION THEREOF BRACCO IMAGING S.P.A. (IT) 2016-04-21 US disclosed
US-9259491-B2 Class of diazepine derivative chelating agents and complexes with paramagnetic metals thereof as MRI contrast agents BRACCO IMAGING S.P.A. (IT) 2016-02-16 US disclosed
US-20150037261-A1 New Class Of Diazepine Derivative Chelating Agents And Complexes With Paramagnetic Metals Thereof As MRI Contrast Agents BRACCO IMAGING S.P.A. (IT) 2015-02-05 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-20150037261-A1 New Class Of Diazepine Derivative Chelating Agents And Complexes With Paramagnetic Metals Thereof As MRI Contrast Agents BAZ2A, BAZ2B, BAZ1A ALDH1A1 4327/4885KDM4E 1717/4885MAPT 1668/4885
US-20160106869-A1 FLUORESCENT SOLID LIPID NANOPARTICLES COMPOSITION AND PREPARATION THEREOF LIPA, PLIN3, NPC1L1 ALDH1A1 812/4885KDM4E 4133/4885MAPT 2716/4885

“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.