SCHEMBL4683927

SCHEMBL4683927

Cc1ccc(C(=O)NC(NC(=S)Nc2cccc([N+](=O)[O-])c2)C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.59
APEX1 P27695 1/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KMT2A Q03164 7/20 0.56
ALDH1A1 P00352 7/20 0.56
MEN1 O00255 6/20 0.56
MAPT P10636 8/20 0.54
POLB P06746 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
HTT P42858 1/20 0.53
LMNA P02545 3/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 3/20 0.53
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51

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
SCHEMBL4682258 0.91 HSP90AA1 (0.60) HSP90AA1APEX1MAPK1TDP1KMT2A
SCHEMBL4683467 0.86 ALDH1A1 (0.55) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL4685517 0.85 MAPT (0.58) HSP90AA1APEX1MAPK1TDP1KMT2A
SCHEMBL4682314 0.85 MAPT (0.55) HSP90AA1APEX1MAPK1TDP1KMT2A
SCHEMBL4683858 0.84 ALDH1A1 (0.50) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL4682172 0.83 MAPT (0.56) MAPK1KMT2AALDH1A1MEN1MAPT
SCHEMBL4679132 0.82 HTT (0.68) HSP90AA1APEX1MAPK1TDP1KMT2A
SCHEMBL14808169 0.82 MAPT (0.80) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL5218080 0.82 ALDH1A1 (0.61) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL4684022 0.81 KMT2A (0.63) KMT2AALDH1A1MEN1MAPTNPC1

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 HSP90AA1 3100/4885APEX1 2582/4885MAPK1 2523/4885

“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.