SCHEMBL3106909

SCHEMBL3106909

Cc1cc(C)c(NC(=O)Cc2ccc(F)cc2)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 1/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RXFP1 Q9HBX9 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
KCNJ6 P48051 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
MAPK1 P28482 2/20 0.45

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
SCHEMBL30795536 1.00 GAA (0.56) GAASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL3111513 0.85 GAA (0.56) GAASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL30795311 0.83 GAA (0.55) GAASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL3111427 0.83 GAA (0.55) GAASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL3108960 0.77 ALDH1A1 (0.53) GAASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL30795952 0.77 ALDH1A1 (0.53) GAASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL3095220 0.76 SMN1; SMN2 (0.53) GAASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL30824617 0.76 SMN1; SMN2 (0.53) GAASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL3112691 0.76 POLB (0.49) GAASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL30795439 0.76 ALDH1A1 (0.52) GAASMN1; SMN2ALDH1A1KDM4EHPGD

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 27 patents — showing the first 20. 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
CN-101790374-A Use of kncq potassium channel openers for reducing symptoms of or treating disorders or conditions wherein the dopaminergic system is disrupted LUNDBECK & CO AS H 2010-07-28 CN claimed
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 claimed
US-7601870-B2 Such as Hexanoic acid (4-bromo-2,6-dimethyl-phenyl)-amide; potassium channel modulators; epilepsy H. LUNDBECK A/S (DK) 2009-10-13 US claimed
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 claimed
CN-101056845-A Substituted aniline derivatives LUNDBECK & CO AS H (DK) 2007-10-17 CN claimed
EP-1791809-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2007-06-06 EP claimed
US-20060155121-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-13 US claimed
WO-2006029623-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-23 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-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS 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-1983974-A1 USE OF KCNQ-OPENERS FOR TREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. Lundbeck A/S (DK) 2008-10-29 EP disclosed
CN-101056845-A Substituted aniline derivatives LUNDBECK & CO AS H (DK) 2007-10-17 CN 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
EP-1791809-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2007-06-06 EP disclosed
US-20060155121-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-13 US disclosed
WO-2006029623-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-23 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 (2 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-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 GAA 884/4885SMN1; SMN2 1908/4885ALDH1A1 178/4885
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 GAA 700/4885SMN1; SMN2 1130/4885ALDH1A1 1575/4885

“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.