SCHEMBL4679847

SCHEMBL4679847

COc1ccc(NC(=S)NC(NC(=O)c2ccc(C)cc2)C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.60
MEN1 O00255 6/20 0.60
MAPT P10636 5/20 0.60
NPSR1 Q6W5P4 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 8/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
LMNA P02545 5/20 0.60
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
HPGD P15428 1/20 0.52
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 2/20 0.48

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
SCHEMBL4684022 0.92 KMT2A (0.63) KMT2AMEN1MAPTNPSR1CYP1A2
SCHEMBL4738582 0.87 MEN1 (0.58) KMT2AMEN1MAPTNPSR1CYP1A2
SCHEMBL6649296 0.87 MEN1 (0.58) KMT2AMEN1MAPTNPSR1CYP1A2
SCHEMBL5218080 0.87 ALDH1A1 (0.61) KMT2AMEN1MAPTNPSR1CYP1A2
SCHEMBL4682172 0.86 MAPT (0.56) KMT2AMEN1MAPTNPSR1CYP1A2
SCHEMBL4683467 0.81 ALDH1A1 (0.55) KMT2AMEN1MAPTNPSR1CYP1A2
SCHEMBL5212904 0.80 ALDH1A1 (0.56) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL4679575 0.79 KCNJ11 (0.53) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL5445748 0.79 NPC1 (0.73) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL4683858 0.79 ALDH1A1 (0.50) KMT2AMEN1MAPTNPSR1CYP1A2

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 13 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
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 KMT2A 1382/4885MEN1 800/4885MAPT 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.