SCHEMBL1786845

SCHEMBL1786845

Nn1nc(-c2ccc(F)cc2)c2ccccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
BLM P54132 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.46
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1788116 0.86 ALDH1A1 (0.57) NPSR1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL1791327 0.84 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2MAPTTP53GAA
SCHEMBL1788558 0.84 NPSR1 (0.59) NPSR1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL1789226 0.84 NPSR1 (0.64) NPSR1KDM4EALDH1A1MAPTTP53
SCHEMBL1787410 0.83 NPSR1 (0.62) NPSR1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL1789511 0.83 MAP2K4 (0.44) NPSR1KDM4EALDH1A1MAPTPOLB
SCHEMBL29382447 0.81 SMN1; SMN2 (0.70) NPSR1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL1785806 0.80 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL1786120 0.80 NPSR1 (0.46) NPSR1ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL9225993 0.79 NPSR1 (0.82) NPSR1KDM4EALDH1A1SMN1; SMN2MAPT

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
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
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 NPSR1 505/4885KDM4E 574/4885ALDH1A1 1644/4885

“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.