SCHEMBL5212904

SCHEMBL5212904

COc1ccccc1NC(=S)NC(NC(=O)c1ccc(C)cc1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
NPSR1 Q6W5P4 2/20 0.56
KDM4E B2RXH2 3/20 0.54
GAA P10253 2/20 0.54
MLYCD O95822 1/20 0.53
KMT2A Q03164 4/20 0.52
ALOX12 P18054 4/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 1/20 0.50
EPHX1 P07099 1/20 0.49
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4685945 0.86 NPSR1 (0.63) ALDH1A1NPSR1KDM4EGAAKMT2A
SCHEMBL4680564 0.85 ALDH1A1 (0.53) ALDH1A1NPSR1KDM4EKMT2AALOX12
SCHEMBL4682172 0.82 MAPT (0.56) ALDH1A1NPSR1KMT2AALOX12MAPT
SCHEMBL4682138 0.81 ALDH1A1 (0.48) ALDH1A1NPSR1KDM4EKMT2AALOX12
SCHEMBL5218080 0.81 ALDH1A1 (0.61) ALDH1A1NPSR1KDM4EKMT2AMAPT
SCHEMBL4679847 0.80 KMT2A (0.60) ALDH1A1NPSR1KDM4EGAAKMT2A
SCHEMBL28030070 0.80 EPHX1 (0.73) ALDH1A1NPSR1KDM4EGAAKMT2A
SCHEMBL4684022 0.80 KMT2A (0.63) ALDH1A1NPSR1KMT2AALOX12MAPT
SCHEMBL4682145 0.80 ALDH1A1 (0.57) ALDH1A1NPSR1KDM4EGAAKMT2A
SCHEMBL4683495 0.79 MAPT (0.51) ALDH1A1NPSR1KDM4EGAAKMT2A

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 14 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-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 704/4885NPSR1 2087/4885KDM4E 769/4885

“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.