SCHEMBL1787207

SCHEMBL1787207

Nn1nc(-c2ccc(F)cc2F)c2ccccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.41
MAPK12 P53778 7/20 0.41
MAPK11 Q15759 7/20 0.41
MAPK14 Q16539 7/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.40
AKR1B1 P15121 1/20 0.39
KDM4E B2RXH2 2/20 0.39
APAF1 O14727 2/20 0.39
HSP90AA1 P07900 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSP90AB1 P08238 1/20 0.39
TSHR P16473 1/20 0.39
GLA P06280 1/20 0.39
BRD4 O60885 1/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2A P29274 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL8864632 0.83 KDM4E (0.55) MCHR1KDM4EAPAF1HSP90AA1L3MBTL1
SCHEMBL1786845 0.79 NPSR1 (0.56) KDM4EL3MBTL1ADORA1ADORA2ANPSR1
SCHEMBL1789511 0.75 MAP2K4 (0.44) KDM4ENPSR1MEN1KMT2A
SCHEMBL1788575 0.74 THRB (0.42) KDM4EL3MBTL1NPSR1MEN1RAB9A
SCHEMBL1788116 0.72 ALDH1A1 (0.57) KDM4EL3MBTL1TSHRNPSR1MEN1
SCHEMBL1788850 0.71 NPSR1 (0.42) KDM4EL3MBTL1BRD4NPSR1TDO2
SCHEMBL1785262 0.71 ROCK1 (0.55) KDM4ETSHRNPSR1ROCK1
SCHEMBL28681020 0.69 GLA (0.42) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL1789226 0.67 NPSR1 (0.64) KDM4EL3MBTL1NPSR1TP53MEN1
SCHEMBL7892186 0.67 TBXAS1 (0.46) L3MBTL1ADORA1NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 MAPK13 3259/4885MAPK12 2857/4885MAPK11 2411/4885

“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.