SCHEMBL4594918

SCHEMBL4594918

CCOc1cc(O)ncc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4C Q9H3R0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 5/20 0.42
GAA P10253 3/20 0.42
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADH5 P11766 1/20 0.39

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
SCHEMBL221671 0.83 ALDH1A1 (0.44) MAPTALDH1A1L3MBTL1LMNA
SCHEMBL17222837 0.83 ALDH1A1 (0.44) MAPTALDH1A1L3MBTL1LMNA
SCHEMBL9327435 0.81 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1KDM4C
SCHEMBL26647446 0.81 MAPT (0.46) MAPTKMT2AMEN1ALDH1A1KDM4C
SCHEMBL21187178 0.79 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1KDM4C
SCHEMBL24455583 0.78 SNCA (0.42) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL11835695 0.75 MAPT (0.53) MAPTKMT2AMEN1ALDH1A1KDM4C
SCHEMBL10542203 0.75 MAPT (0.57) MAPTKMT2AMEN1ALDH1A1KDM4C
SCHEMBL10702301 0.75 MAPT (0.51) MAPTKMT2AMEN1ALDH1A1KDM4C
SCHEMBL8155992 0.74 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
WO-2011149856-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
EP-1891068-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-02-27 EP disclosed
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 MAPT 3250/4885KMT2A 4293/4885MEN1 4876/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 MAPT 3250/4885KMT2A 4293/4885MEN1 4876/4885
US-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 MAPT 3969/4885KMT2A 1852/4885MEN1 3151/4885

“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.