SCHEMBL3755039

SCHEMBL3755039

Nn1cnc2ccc(Cl)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
NR4A2 P43354 1/20 0.46
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRA6 Q16445 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SCD O00767 1/20 0.40
TUBB4A P04350 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
SCHEMBL3640941 0.79 KDM4E (0.50) PARP1NR4A2GABRA1GABRG2GABRB3
SCHEMBL9919058 0.79 L3MBTL1 (0.59) PARP1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL24072199 0.79 PARP1 (0.51) PARP1KDM4EL3MBTL1
SCHEMBL3751890 0.79 CHEK1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24754381 0.76 DDR1 (0.54) PARP1RAB9AKMT2ASCD
SCHEMBL24754380 0.76 PARP1 (0.44) PARP1NR4A2GABRA1GABRG2GABRB3
SCHEMBL3723803 0.76 SCD (0.54) PARP1RAB9AKMT2ASCD
SCHEMBL30743619 0.74 KDM4E (0.54) KDM4EHTTL3MBTL1RAB9AMEN1
SCHEMBL3190592 0.74 KDM4E (0.54) KDM4EHTTL3MBTL1RAB9AMEN1
SCHEMBL30553041 0.73 MAPT (0.47) RAB9AKMT2AMAPTSCD

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-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
WO-2010138828-A2 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 PARP1 2712/4885NR4A2 1253/4885GABRA1 226/4885

“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.