SCHEMBL3107567

SCHEMBL3107567

CCCC(=O)Nc1ccc(CNc2cccc(F)c2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
FFAR1 O14842 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
F2R P25116 4/20 0.44
PPARA Q07869 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
HDAC4 P56524 1/20 0.44
MEF2D Q14814 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNQ4 P56696 1/20 0.43

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
SCHEMBL30795661 1.00 PKM (0.50) PKMSMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL3100929 0.90 POLB (0.48) PKMSMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL30795043 0.90 POLB (0.48) PKMSMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL3102278 0.88 HTT (0.45) PKMSMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL30796046 0.88 HTT (0.45) PKMSMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL3089727 0.87 KCNQ3 (0.50) PKMSMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL30796261 0.87 KCNQ3 (0.50) PKMSMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL3089723 0.84 KCNQ3 (0.61) SMN1; SMN2ALDH1A1FFAR1MEN1KMT2A
SCHEMBL30796603 0.84 KCNQ3 (0.61) SMN1; SMN2ALDH1A1FFAR1MEN1KMT2A
SCHEMBL3099821 0.82 POLB (0.45) PKMALDH1A1FFAR1MEN1KMT2A

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 12 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
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 PKM 450/4885SMN1; SMN2 3902/4885NPC1 539/4885
US-20060167087-A1 Substituted aniline derivatives CYP3A43, UGT2B7, CYP3A7 PKM 1547/4885SMN1; SMN2 1408/4885NPC1 237/4885
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 PKM 230/4885SMN1; SMN2 1130/4885NPC1 402/4885

“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.