SCHEMBL1791199

SCHEMBL1791199

Nn1nc(C2CCC2)c2ccccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.44
ATM Q13315 2/20 0.44
KAT2B Q92831 2/20 0.37
ALDH1A1 P00352 2/20 0.36
JAK2 O60674 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 1/20 0.35
PARP1 P09874 1/20 0.35
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
CRHBP P24387 1/20 0.34

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
SCHEMBL1789276 0.97 ATM (0.48) CHRNA7ATMKAT2BALDH1A1TSHR
SCHEMBL1786982 0.95 ATM (0.50) CHRNA7ATMKAT2BALDH1A1TSHR
SCHEMBL1785783 0.93 CHRNA7 (0.41) CHRNA7ATMKAT2BALDH1A1KDM4E
SCHEMBL1933205 0.88 PRMT5 (0.38) CHRNA7ATMALDH1A1KDM4ECYP1A2
SCHEMBL1933711 0.84 CHRNA7 (0.42) CHRNA7ATMPARP1
SCHEMBL14917548 0.81 KAT2B (0.39) CHRNA7ATMKAT2BALDH1A1KDM4E
SCHEMBL17354954 0.79 JAK2 (0.43) CHRNA7ATMALDH1A1JAK2PARP1
SCHEMBL19902554 0.72 CHRNA7 (0.39) CHRNA7ATMKAT2BMEN1KMT2A
SCHEMBL16311058 0.70 CHRNA7 (0.55) CHRNA7ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1786624 0.68 NPSR1 (0.56) ALDH1A1KDM4ETSHRL3MBTL1MEN1

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 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.