SCHEMBL3112428

SCHEMBL3112428

CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(Cl)s2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
F2 P00734 5/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36

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
SCHEMBL30795486 1.00 FFAR1 (0.44) FFAR1HDAC1HDAC2KCNQ3KCNQ2
SCHEMBL30795826 0.89 FFAR1 (0.46) FFAR1RAB9AADORA2AADORA1F2
SCHEMBL2070719 0.89 FFAR1 (0.46) FFAR1RAB9AADORA2AADORA1F2
SCHEMBL4998440 0.83 FFAR1 (0.41) FFAR1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL3101974 0.80 KCNQ2 (0.62) FFAR1HDAC1HDAC2KCNQ3KCNQ2
SCHEMBL30795181 0.80 KCNQ2 (0.62) FFAR1HDAC1HDAC2KCNQ3KCNQ2
SCHEMBL3090964 0.80 HDAC1 (0.53) FFAR1HDAC1HDAC2KCNQ3KCNQ2
SCHEMBL30794887 0.80 HDAC1 (0.53) FFAR1HDAC1HDAC2KCNQ3KCNQ2
SCHEMBL5096446 0.80 HDAC1 (0.40) HDAC1HDAC2KCNQ3KCNQ2RAB9A
SCHEMBL2070657 0.75 FFAR1 (0.47) FFAR1F2HTTMAPTUTS2R

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 29 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
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-100448867-C 1,2,4-triaminobenzenderivater nyttige for behandling AV forstyrrelser i sentralnervesystemet LUNDBECK & CO AS H (DK) 2009-01-07 CN claimed
US-7368472-B2 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system H. LUNDBECK A/S (DK) 2008-05-06 US claimed
EP-1578740-B1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM LUNDBECK & CO AS H (DK) 2007-03-21 EP claimed
JP-2006515300-A 2006-05-25 JP claimed
CN-1732162-A 1,2,4-triaminobenzenderivater nyttige for behandling AV forstyrrelser i sentralnervesystemet LUNDBECK & CO AS H (DK) 2006-02-08 CN claimed
US-20060014822-A1 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system H. LUNDBECK A/S (DK) 2006-01-19 US claimed
EP-1578740-A1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. Lundbeck A/S (DK) 2005-09-28 EP claimed
WO-2004058739-A1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2004-07-15 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
EP-1578740-B1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM LUNDBECK & CO AS H (DK) 2007-03-21 EP disclosed
US-20060014822-A1 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system H. LUNDBECK A/S (DK) 2006-01-19 US disclosed
EP-1578740-A1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. Lundbeck A/S (DK) 2005-09-28 EP disclosed
WO-2004058739-A1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2004-07-15 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-20060014822-A1 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system PMP22, GRIN2B, AVPR1B FFAR1 2339/4885HDAC1 1273/4885HDAC2 1166/4885
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 FFAR1 2644/4885HDAC1 2172/4885HDAC2 1101/4885

“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.