SCHEMBL1744820

SCHEMBL1744820

O=C(NN1CCOCC1)c1cccc(B(O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
AKR1C3 P42330 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP2D6 P10635 2/20 0.54
MTOR P42345 1/20 0.51
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL4041565 0.87 HTT (0.59) LMNASMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL7449220 0.80 SMN1; SMN2 (0.68) LMNAAKR1C3SMN1; SMN2CYP2D6MTOR
SCHEMBL17478759 0.80 LMNA (0.64) LMNAAKR1C3SMN1; SMN2CYP2D6MTOR
SCHEMBL3955220 0.79 SMN1; SMN2 (0.71) LMNAAKR1C3SMN1; SMN2CYP2D6MTOR
SCHEMBL8123 0.78 TSHR (0.60) KMT2AALDH1A1L3MBTL1
SCHEMBL1366895 0.78 CYP2C19 (0.66) SMN1; SMN2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL4714647 0.78 GAA (0.57) LMNASMN1; SMN2CYP2D6KMT2AALDH1A1
Hydrochloric Acid SCHEMBL16599364 0.77 CYP2C19 (0.65) SMN1; SMN2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL14301340 0.77 L3MBTL1 (0.65) LMNASMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL1773700 0.76 SMN1; SMN2 (0.51) SMN1; SMN2CYP2D6KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 US disclosed
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed
EP-2233470-A1 Histamine H3 receptor antagonists High Point Pharmaceuticals, LLC (US) 2010-09-29 EP disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US disclosed
EP-1902028-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS Novo Nordisk A/S (DK) 2008-03-26 EP disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 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 (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-20120232078-A1 Novel Medicaments HRH3, HRH4, HRH1 LMNA 4582/4885AKR1C3 3089/4885SMN1; SMN2 3870/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 LMNA 4582/4885AKR1C3 3089/4885SMN1; SMN2 3870/4885
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 LMNA 3939/4885AKR1C3 3147/4885SMN1; SMN2 3919/4885

“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.