SCHEMBL1785783

SCHEMBL1785783

Nn1nc(C2CC2)c2ccccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.41
ATM Q13315 1/20 0.40
KAT2B Q92831 2/20 0.36
KHK P50053 1/20 0.36
PARP1 P09874 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ADORA1 P30542 2/20 0.35
CCR2 P41597 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL1791199 0.93 CHRNA7 (0.44) CHRNA7ATMKAT2BPARP1ADORA1
SCHEMBL1789276 0.93 ATM (0.48) CHRNA7ATMKAT2BPARP1MAPK1
SCHEMBL1786982 0.92 ATM (0.50) CHRNA7ATMKAT2BPARP1MAPK1
SCHEMBL14917548 0.84 KAT2B (0.39) CHRNA7ATMKAT2BKDM4EALDH1A1
SCHEMBL1933205 0.82 PRMT5 (0.38) CHRNA7ATMPARP1KDM4EALDH1A1
SCHEMBL1933711 0.81 CHRNA7 (0.42) CHRNA7ATMPARP1SMN1; SMN2
SCHEMBL17354954 0.81 JAK2 (0.43) CHRNA7ATMPARP1ALDH1A1SMN1; SMN2
SCHEMBL19902459 0.72 CHRNA7 (0.37) CHRNA7ATMKAT2BPARP1KDM4E
SCHEMBL1786624 0.71 NPSR1 (0.56) KDM4EL3MBTL1ALDH1A1SMN1; SMN2TSHR
SCHEMBL1787409 0.71 SMN1; SMN2 (0.47) RXFP1ADORA1KDM4EL3MBTL1ALDH1A1

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 CHRNA7 168/4885ATM 3548/4885KAT2B 698/4885

“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.