SCHEMBL1784447

SCHEMBL1784447

O=C(Cc1cccc(OC(F)(F)F)c1)Nn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.54
▸ ABCB1 P08183 1/20 0.54
▸ MAPT P10636 4/20 0.47
▸ P2RY14 Q15391 1/20 0.44
▸ KCNK3 O14649 2/20 0.44
▸ KCNK9 Q9NPC2 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL30794501 1.00 TP53 (0.54) TP53ABCB1MAPTP2RY14KCNK3
SCHEMBL1787303 0.88 KDM4E (0.54) TP53MAPTMEN1KMT2ARXFP1
SCHEMBL30794425 0.88 KDM4E (0.54) TP53MAPTMEN1KMT2ARXFP1
SCHEMBL1791101 0.86 MAPT (0.61) TP53MAPTKCNK3KCNK9MEN1
SCHEMBL30795700 0.86 MAPT (0.61) TP53MAPTKCNK3KCNK9MEN1
SCHEMBL1791439 0.86 MAPT (0.49) TP53ABCB1MAPTMEN1KMT2A
SCHEMBL30796105 0.86 MAPT (0.49) TP53ABCB1MAPTMEN1KMT2A
SCHEMBL1789674 0.84 ALDH1A1 (0.53) TP53MAPTMEN1KMT2ARXFP1
SCHEMBL30796074 0.84 ALDH1A1 (0.53) TP53MAPTMEN1KMT2ARXFP1
SCHEMBL1789483 0.83 TP53 (0.59) TP53MAPTMEN1KMT2ARXFP1

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 TP53 4412/4885ABCB1 317/4885MAPT 3480/4885

“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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