SCHEMBL1788569

SCHEMBL1788569

O=C(CC1(C(F)(F)F)CCCC1)Nn1nc(Cc2ccccc2)c2ccccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.38
ATM Q13315 1/20 0.38
HRH1 P35367 5/20 0.38
ADRA1A P35348 4/20 0.38
ADRA1B P35368 4/20 0.38
KCNH2 Q12809 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AKR1B1 P15121 3/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL30794594 1.00 TSHR (0.46) TSHRSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL1788796 0.78 TP53 (0.49) CYP3A4CYP2C9CYP2C19MAPTPOLB
SCHEMBL30795520 0.78 TP53 (0.49) CYP3A4CYP2C9CYP2C19MAPTPOLB
SCHEMBL9570448 0.77 TSHR (0.62) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30795814 0.74 TSHR (0.50) TSHRSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL30796305 0.74 TSHR (0.50) TSHRSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL1791416 0.74 TSHR (0.50) TSHRSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL1786762 0.74 TSHR (0.50) TSHRSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL1788819 0.72 TSHR (0.51) TSHRHRH1ADRA1AADRA1BKCNH2
SCHEMBL30796387 0.72 TSHR (0.51) TSHRHRH1ADRA1AADRA1BKCNH2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US claimed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 EP claimed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 WO claimed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 US claimed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
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 TSHR 1471/4885SMN1; SMN2 2070/4885CYP1A2 1589/4885

“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.