SCHEMBL1786746

SCHEMBL1786746

Nn1nc(-c2cccc(Cl)c2)c2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.52
PARP1 P09874 3/20 0.49
ALDH1A1 P00352 5/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
PPARG P37231 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 1/20 0.44

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
SCHEMBL1789226 0.83 NPSR1 (0.64) NPSR1ALDH1A1LMNAHTTCYP1A2
SCHEMBL1788116 0.82 ALDH1A1 (0.57) NPSR1ALDH1A1LMNAHTTCYP1A2
SCHEMBL13720441 0.80 NPSR1 (0.44) NPSR1ALDH1A1LMNAHTTCYP1A2
SCHEMBL7364074 0.79 TBXAS1 (0.62) NPSR1PARP1ALDH1A1LMNAHTT
SCHEMBL7363261 0.78 ALDH1A1 (0.77) NPSR1PARP1ALDH1A1LMNAHTT
SCHEMBL1787483 0.77 HPGD (0.53) NPSR1ALDH1A1LMNAHTTCYP2C9
SCHEMBL13721323 0.75 NPSR1 (0.45) NPSR1ALDH1A1LMNAHTTCYP1A2
SCHEMBL1932753 0.74 NPSR1 (0.54) NPSR1ALDH1A1LMNAHTTCYP1A2
SCHEMBL7892186 0.74 TBXAS1 (0.46) NPSR1ALDH1A1LMNAHTTCYP1A2
SCHEMBL1786845 0.74 NPSR1 (0.56) NPSR1ALDH1A1CYP1A2CYP2C9CYP2C19

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 505/4885PARP1 1896/4885ALDH1A1 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.