SCHEMBL4682145

SCHEMBL4682145

Cc1ccc(C(=O)NC(NC(=S)Nc2cccc(C(F)(F)F)c2F)C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
ALOX12 P18054 8/20 0.57
MAPT P10636 6/20 0.57
LMNA P02545 6/20 0.57
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPSR1 Q6W5P4 5/20 0.47
TP53 P04637 1/20 0.46
CYP1A2 P05177 2/20 0.44
PLA2G1B P04054 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL4682138 0.89 ALDH1A1 (0.48) ALDH1A1ALOX12MAPTLMNAMEN1
SCHEMBL4680564 0.84 ALDH1A1 (0.53) ALDH1A1ALOX12MAPTLMNAMEN1
SCHEMBL4685945 0.83 NPSR1 (0.63) ALDH1A1ALOX12MAPTLMNAMEN1
SCHEMBL6672512 0.81 LMNA (0.53) ALDH1A1ALOX12MAPTLMNAMEN1
SCHEMBL4679775 0.81 LMNA (0.53) ALDH1A1ALOX12MAPTLMNAMEN1
SCHEMBL5212904 0.80 ALDH1A1 (0.56) ALDH1A1ALOX12MAPTLMNAMEN1
SCHEMBL4684022 0.79 KMT2A (0.63) ALDH1A1ALOX12MAPTLMNAMEN1
SCHEMBL4682172 0.78 MAPT (0.56) ALDH1A1ALOX12MAPTLMNAMEN1
SCHEMBL4683495 0.78 MAPT (0.51) ALDH1A1ALOX12MAPTLMNAMEN1
SCHEMBL4682188 0.78 ALDH1A1 (0.48) ALDH1A1ALOX12MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP claimed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP claimed
JP-2003506355-A 2003-02-18 JP claimed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP claimed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US claimed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO claimed
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 ALDH1A1 704/4885ALOX12 1901/4885MAPT 2939/4885

“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.