SCHEMBL1012510

SCHEMBL1012510

CN(C)C=Cc1ccc2cccnc2c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
MAPT P10636 10/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HSP90AA1 P07900 2/20 0.39
NFKB1 P19838 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 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
SCHEMBL1012509 1.00 PDE10A (0.46) PDE10AMAPTMEN1KMT2AALDH1A1
SCHEMBL1011709 0.80 PDE10A (0.53) PDE10AMAPTMEN1KMT2AALDH1A1
SCHEMBL18434428 0.79 PDE10A (0.51) PDE10AMAPTMEN1KMT2AALDH1A1
SCHEMBL31570753 0.79 PDE10A (0.51) PDE10AMAPTMEN1KMT2AALDH1A1
SCHEMBL1710123 0.78 TSHR (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1595062 0.78 TSHR (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13602996 0.78 MAPT (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL11997107 0.76 LMNA (0.41) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7749765 0.75 NPC1 (0.38) PDE10AMAPTMEN1KMT2AALDH1A1
SCHEMBL1011432 0.74 TSHR (0.56) PDE10AMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 EP disclosed
US-9102688-B2 Sulfonaminoquinoline hepcidin antagonists VIFOR (INTERNATIONAL) AG (CH) 2015-08-11 US disclosed
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2014-12-11 US disclosed
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
EP-1955384-B1 ELECTROLUMINESCENT DEVICE CONTAINING AN ANTHRACENE DERIVATIVE GLOBAL OLED TECHNOLOGY LLC (US) 2011-04-27 EP disclosed
EP-1955385-B1 ELECTROLUMINESCENT DEVICE CONTAINING A PHENANTHROLINE DERIVATIVE GLOBAL OLED TECHNOLOGY LLC (US) 2011-01-05 EP disclosed
US-7553558-B2 Electroluminescent device containing an anthracene derivative EASTMAN KODAK COMPANY (US) 2009-06-30 US disclosed
EP-1955384-A1 ELECTROLUMINESCENT DEVICE CONTAINING AN ANTHRACENE DERIVATIVE EASTMAN KODAK COMPANY (US) 2008-08-13 EP disclosed
EP-1955385-A2 ELECTROLUMINESCENT DEVICE CONTAINING A PHENANTHROLINE DERIVATIVE EASTMAN KODAK COMPANY (US) 2008-08-13 EP disclosed
WO-2007064484-A2 ELECTROLUMINESCENT DEVICE CONTAINING A PHENANTHROLINE DERIVATIVE EASTMAN KODAK COMPANY (US) 2007-06-07 WO disclosed
WO-2007064493-A1 ELECTROLUMINESCENT DEVICE CONTAINING AN ANTHRACENE DERIVATIVE EASTMAN KODAK COMPANY (US) 2007-06-07 WO disclosed
US-20070122656-A1 Electroluminescent device containing an anthracene derivative EASTMAN KODAK COMPANY 2007-05-31 US disclosed
US-20070122657-A1 Electroluminescent device containing a phenanthroline derivative EASTMAN KODAK COMPANY 2007-05-31 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-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 PDE10A 3260/4885MAPT 4801/4885MEN1 2680/4885
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 PDE10A 3260/4885MAPT 4801/4885MEN1 2680/4885

“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.