SCHEMBL10133040

SCHEMBL10133040

c1ccc(CNCCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.77
MAPT P10636 1/20 0.77
BCHE P06276 4/20 0.62
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SIGMAR1 Q99720 3/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA4 P22748 1/20 0.60
CA9 Q16790 1/20 0.60
HTR5A P47898 1/20 0.57
HDAC1 Q13547 1/20 0.57
ATM Q13315 1/20 0.55
MAOA P21397 1/20 0.55
LTA4H P09960 1/20 0.54

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
SCHEMBL10060315 0.98 GAA (0.80) GAAMAPTBCHEMEN1KMT2A
SCHEMBL11881258 0.92 GAA (0.91) GAAMAPTBCHEMEN1KMT2A
SCHEMBL3272134 0.92 GAA (0.91) GAAMAPTBCHEMEN1KMT2A
SCHEMBL27228 0.89 GAA (0.95) GAAMAPTBCHEMEN1KMT2A
SCHEMBL24142592 0.89 BCHE (0.66) GAAMAPTBCHESMN1; SMN2KDM4E
SCHEMBL13960326 0.89 BCHE (0.70) GAAMAPTBCHEKDM4EALDH1A1
SCHEMBL16812954 0.87 SMN1; SMN2 (0.75) GAAMAPTMEN1KMT2ATDP1
SCHEMBL25432637 0.87 GAA (0.91) GAAMAPTBCHEMEN1KMT2A
Ammonia Solution, Strong SCHEMBL23581968 0.87 GAA (0.91) GAAMAPTBCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL1983401 0.87 GAA (1.00) GAAMAPTBCHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
WO-2009009041-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2009-01-15 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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 GAA 3884/4885MAPT 2664/4885BCHE 3290/4885

“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.