SCHEMBL1786577

SCHEMBL1786577

O=C(Cc1ccc(C(F)(F)F)cc1)Nn1nc(C(F)(F)F)c2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ AKR1B1 P15121 5/20 0.47
▸ CNR2 P34972 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ PTGER4 P35408 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ CXCR3 P49682 1/20 0.40

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
SCHEMBL30795856 1.00 LMNA (0.52) LMNAPOLBAKR1B1CNR2SIGMAR1
SCHEMBL30814174 0.93 MEN1 (0.45) LMNAPOLBAKR1B1CNR2KDM4E
SCHEMBL1789193 0.93 MEN1 (0.45) LMNAPOLBAKR1B1CNR2KDM4E
SCHEMBL30795173 0.90 KDM4E (0.49) LMNAPOLBAKR1B1CNR2KDM4E
SCHEMBL1788526 0.90 KDM4E (0.49) LMNAPOLBAKR1B1CNR2KDM4E
SCHEMBL30796432 0.87 PTGS2 (0.43) LMNAPOLBKDM4ECXCR3
SCHEMBL30796164 0.87 CACNA1H (0.48) LMNAPOLBCNR2
SCHEMBL1786193 0.87 PTGS2 (0.43) LMNAPOLBKDM4ECXCR3
SCHEMBL1789625 0.87 CACNA1H (0.48) LMNAPOLBCNR2
SCHEMBL1788705 0.85 RIOK2 (0.47) LMNAPOLBAKR1B1SIGMAR1KDM4E

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 LMNA 1106/4885POLB 4381/4885AKR1B1 319/4885

“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.

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