SCHEMBL1789511

SCHEMBL1789511

Nn1nc(-c2ccccc2)c2cc(F)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.44
PTGER1 P34995 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
DHODH Q02127 3/20 0.42
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.41
CHRNA7 P36544 1/20 0.41
AKT1 P31749 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTDSP1 Q9GZU7 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
SCHEMBL1786845 0.83 NPSR1 (0.56) NPSR1MAPTALDH1A1ALOX15KDM4E
SCHEMBL1788116 0.82 ALDH1A1 (0.57) NPSR1ALDH1A1ALOX15KDM4EHTT
SCHEMBL29392915 0.73 HPGD (0.45) MAP2K4PTGER1NPSR1MAPTDHODH
SCHEMBL1789226 0.71 NPSR1 (0.64) NPSR1MAPTALDH1A1KDM4EHTT
SCHEMBL1791327 0.71 SMN1; SMN2 (0.61) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL1788558 0.71 NPSR1 (0.59) NPSR1MAPTALDH1A1ALOX15KDM4E
SCHEMBL1785622 0.71 NPSR1 (0.67) MAP2K4NPSR1MAPTALDH1A1ALOX15
SCHEMBL1786746 0.71 NPSR1 (0.52) NPSR1MAPTALDH1A1ALOX15KDM4E
SCHEMBL1787410 0.71 NPSR1 (0.62) PTGER1NPSR1MAPTALDH1A1ALOX15
SCHEMBL1784783 0.70 MAPT (0.45) PTGER1MAPTALOX15CHRNA7MEN1

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 4 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
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 EP disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 WO 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 MAP2K4 4448/4885PTGER1 283/4885NPSR1 505/4885

“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.