SCHEMBL3109929

SCHEMBL3109929

CCOC(=O)Nc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KCNQ3 O43525 3/20 0.57
KCNQ2 O43526 3/20 0.57
KCNQ4 P56696 1/20 0.57
KCNQ5 Q9NR82 1/20 0.57
FFAR1 O14842 2/20 0.51
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
EGFR P00533 2/20 0.48
KDR P35968 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAPT P10636 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL30794943 1.00 TSHR (0.61) TSHRSMN1; SMN2KCNQ3KCNQ2KCNQ4
SCHEMBL3101791 0.90 KCNQ3 (0.63) TSHRSMN1; SMN2KCNQ3KCNQ2KCNQ4
SCHEMBL4978896 0.90 KCNQ3 (0.54) TSHRSMN1; SMN2KCNQ3KCNQ2KCNQ4
SCHEMBL30795670 0.90 KCNQ2 (0.69) TSHRSMN1; SMN2KCNQ3KCNQ2KCNQ4
SCHEMBL3106461 0.90 KCNQ2 (0.69) TSHRSMN1; SMN2KCNQ3KCNQ2KCNQ4
SCHEMBL30795135 0.90 KCNQ3 (0.63) TSHRSMN1; SMN2KCNQ3KCNQ2KCNQ4
SCHEMBL3100849 0.89 MAPT (0.57) TSHRSMN1; SMN2KCNQ3KCNQ2KCNQ4
SCHEMBL30794524 0.89 MAPT (0.57) TSHRSMN1; SMN2KCNQ3KCNQ2KCNQ4
SCHEMBL5668237 0.87 KCNQ2 (0.76) TSHRSMN1; SMN2KCNQ3KCNQ2KCNQ4
SCHEMBL30795349 0.87 KCNQ2 (0.69) TSHRSMN1; SMN2KCNQ3KCNQ2KCNQ4

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
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-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
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
EP-1983974-A1 USE OF KCNQ-OPENERS FOR TREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. Lundbeck A/S (DK) 2008-10-29 EP disclosed
WO-2007090409-A1 USE OF KCNQ-OPENERS FOR THREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. LUNDBECK A/S (DK) 2007-08-16 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 TSHR 2682/4885SMN1; SMN2 3902/4885KCNQ3 4/4885
US-20060167087-A1 Substituted aniline derivatives CYP3A43, UGT2B7, CYP3A7 TSHR 1581/4885SMN1; SMN2 1408/4885KCNQ3 2474/4885
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 TSHR 1705/4885SMN1; SMN2 1130/4885KCNQ3 4/4885

“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.