SCHEMBL5218080

SCHEMBL5218080

COc1cccc(NC(=S)NC(NC(=O)c2ccc(C)cc2)C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MAPT P10636 4/20 0.61
CYP1A2 P05177 3/20 0.61
CYP3A4 P08684 3/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
TP53 P04637 3/20 0.52
KMT2A Q03164 2/20 0.52
PKM P14618 1/20 0.52
NLRP3 Q96P20 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL4683467 0.88 ALDH1A1 (0.55) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4679847 0.87 KMT2A (0.60) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4683858 0.86 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4682172 0.84 MAPT (0.56) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4684022 0.83 KMT2A (0.63) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4683927 0.82 HSP90AA1 (0.59) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4738582 0.81 MEN1 (0.58) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6649296 0.81 MEN1 (0.58) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL14808084 0.81 ALDH1A1 (0.70) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5212904 0.81 ALDH1A1 (0.56) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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 12 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
JP-2003506355-A 2003-02-18 JP 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 704/4885MAPT 2939/4885CYP1A2 1723/4885

“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.