SCHEMBL1789404

SCHEMBL1789404

Cc1cc(C)cc(CC(=O)Nn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.53
RXFP1 Q9HBX9 3/20 0.53
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
THRB P10828 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL30796265 1.00 TP53 (0.53) TP53RXFP1ALDH1A1MEN1KMT2A
SCHEMBL1789483 0.92 TP53 (0.59) TP53RXFP1ALDH1A1MEN1KMT2A
SCHEMBL30795806 0.92 TP53 (0.59) TP53RXFP1ALDH1A1MEN1KMT2A
SCHEMBL30795480 0.91 ALDH1A1 (0.54) TP53RXFP1ALDH1A1MEN1KMT2A
SCHEMBL30795573 0.91 ALDH1A1 (0.54) TP53RXFP1ALDH1A1MEN1KMT2A
SCHEMBL1787368 0.91 ALDH1A1 (0.54) TP53RXFP1ALDH1A1MEN1KMT2A
SCHEMBL1787827 0.91 ALDH1A1 (0.54) TP53RXFP1ALDH1A1MEN1KMT2A
SCHEMBL1790529 0.89 ALDH1A1 (0.54) TP53RXFP1ALDH1A1MEN1KMT2A
SCHEMBL30796290 0.89 ALDH1A1 (0.54) TP53RXFP1ALDH1A1MEN1KMT2A
SCHEMBL1789674 0.88 ALDH1A1 (0.53) TP53RXFP1ALDH1A1MEN1KMT2A

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 4412/4885RXFP1 607/4885ALDH1A1 1644/4885

“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.