SCHEMBL11900342

SCHEMBL11900342

CCOc1ccccc1CC(C#N)C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ATM Q13315 2/20 0.45
POLB P06746 1/20 0.45
SLC6A2 P23975 8/20 0.45
SLC6A4 P31645 8/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
CACNA1F O60840 2/20 0.45
CACNA1D Q01668 2/20 0.45
KCNH2 Q12809 2/20 0.45
CACNA1S Q13698 2/20 0.45
CACNA1C Q13936 2/20 0.45
SLC6A3 Q01959 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL16149651 0.84 CYP1A2 (0.42) MAPTL3MBTL1NPSR1ATMSLC6A2
SCHEMBL6825205 0.82 IDO1 (0.47) MAPTL3MBTL1ATMSLC6A2SLC6A4
SCHEMBL16149228 0.79 ALDH1A1 (0.49) MAPTL3MBTL1SLC6A4CYP2D6ALDH1A1
SCHEMBL12461613 0.78 L3MBTL1 (0.56) MAPTL3MBTL1NPSR1ATMPOLB
SCHEMBL7197450 0.77 L3MBTL1 (0.55) MAPTL3MBTL1NPSR1ATMPOLB
SCHEMBL16150957 0.76 KDM4E (0.44) MAPTL3MBTL1NPSR1SLC6A2SLC6A4
SCHEMBL14478203 0.75 L3MBTL1 (0.53) MAPTL3MBTL1NPSR1ATMPOLB
SCHEMBL1200542 0.74 CTDSP1 (0.46) MAPTL3MBTL1NPSR1ALDH1A1MEN1
SCHEMBL20738328 0.74 L3MBTL1 (0.51) MAPTL3MBTL1NPSR1ATMPOLB
SCHEMBL3204291 0.74 L3MBTL1 (0.51) MAPTL3MBTL1NPSR1ATMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 EP disclosed
EP-2473486-B1 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2015-10-28 EP disclosed
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 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 (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-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists HAMP, DHPS, SLC40A1 MAPT 4432/4885L3MBTL1 3829/4885NPSR1 1363/4885

“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.