SCHEMBL3102289

SCHEMBL3102289

CCOC(=O)Nc1ccc(CNc2ccc(Cl)cc2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.62
KCNQ2 O43526 6/20 0.62
KCNQ4 P56696 3/20 0.62
KCNQ5 Q9NR82 3/20 0.62
MAPT P10636 3/20 0.55
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ABCB11 O95342 1/20 0.48
ESR1 P03372 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
TBXA2R P21731 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 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
SCHEMBL30796328 1.00 KCNQ3 (0.62) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL30795887 0.89 KCNQ2 (0.63) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL3106731 0.89 KCNQ2 (0.63) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL30795239 0.88 KCNQ2 (0.69) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL3090804 0.88 KCNQ2 (0.69) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL3094770 0.88 MAPT (0.57) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL30794524 0.88 MAPT (0.57) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL30795390 0.88 MAPT (0.57) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL3100849 0.88 MAPT (0.57) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL30795702 0.86 KCNQ2 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5MAPT

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
US-20100256145-A1 USE OF KCNQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2010-10-07 US claimed
US-20060167087-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-27 US claimed
EP-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP claimed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 WO claimed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
EP-2554162-A1 Use of KCNQ-Openers for Treating or Reducing the Symptoms of Schizophrenia H. Lundbeck A/S (DK) 2013-02-06 EP disclosed
US-20100256145-A1 USE OF KCNQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2010-10-07 US disclosed
EP-2185149-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. Lundbeck A/S (DK) 2010-05-19 EP disclosed
US-20090118285-A1 USE OF KCNQ-OPENERS FOR TREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. LUNDBECK A/S (DK) 2009-05-07 US disclosed
WO-2009015667-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2009-02-05 WO disclosed
US-20060167087-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-27 US disclosed
EP-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP disclosed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 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 (3 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-20090118285-A1 USE OF KCNQ-OPENERS FOR TREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA KCNQ4, KCNQ5, KCNQ1 KCNQ3 4/4885KCNQ2 5/4885KCNQ4 1/4885
US-20060167087-A1 Substituted aniline derivatives CYP3A43, UGT2B7, CYP3A7 KCNQ3 2474/4885KCNQ2 2612/4885KCNQ4 3100/4885
US-20100256145-A1 USE OF KCNQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED KCNQ2, KCNQ4, KCNQ1 KCNQ3 4/4885KCNQ2 1/4885KCNQ4 2/4885

“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.