SCHEMBL10225877

SCHEMBL10225877

O=[N+]([O-])c1ccccc1NCC(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KAT2B Q92831 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
CASP7 P55210 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
AOC3 Q16853 1/20 0.45

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
SCHEMBL400483 0.83 HCAR3 (0.62) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29868057 0.81 KMT2A (0.64) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL29868045 0.81 KMT2A (0.64) MAPTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3827188 0.80 MEN1 (0.49) MAPTMEN1KMT2AKAT2BRAB9A
SCHEMBL5878676 0.80 MEN1 (0.51) MAPTMEN1KMT2AKAT2BRAB9A
SCHEMBL9694403 0.79 NPC1 (0.59) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL28799465 0.78 KAT2B (0.55) MAPTMEN1KMT2AKAT2BRAB9A
SCHEMBL985139 0.78 KAT2B (0.55) MAPTMEN1KMT2AKAT2BRAB9A
SCHEMBL31450123 0.76 MEN1 (0.63) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL12914614 0.75 KMT2A (0.50) MAPTMEN1KMT2AKAT2BRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8653268-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-02-18 US disclosed
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 US disclosed
US-8367826-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-02-05 US disclosed
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-08-02 US disclosed
US-20120077979-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-03-29 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 (3 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-20120077979-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 MAPT 1546/4885MEN1 1368/4885KMT2A 3065/4885
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 MAPT 1546/4885MEN1 1368/4885KMT2A 3065/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 MAPT 1546/4885MEN1 1368/4885KMT2A 3065/4885

“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.