SCHEMBL3089922

SCHEMBL3089922

Nc1cc2c(cc1NC(=O)Cc1ccc(F)cc1)CCN2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.46
EPHX2 P34913 9/20 0.46
KCNT1 Q5JUK3 1/20 0.46
KCNQ2 O43526 2/20 0.44
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 2/20 0.41
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL30794800 1.00 ALOX5 (0.46) ALOX5EPHX2KCNT1KCNQ2HDAC1
SCHEMBL3111409 0.86 ALOX5 (0.44) ALOX5EPHX2KCNT1KCNQ2LMNA
SCHEMBL3104094 0.86 KCNQ2 (0.48) ALOX5EPHX2KCNT1KCNQ2HDAC1
SCHEMBL30794565 0.86 KCNQ2 (0.48) ALOX5EPHX2KCNT1KCNQ2HDAC1
SCHEMBL27749690 0.85 GAA (0.48) ALOX5EPHX2KCNT1HDAC6
SCHEMBL30795774 0.83 ALOX5 (0.43) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL3106729 0.83 ALOX5 (0.43) ALOX5EPHX2KCNT1HDAC1HDAC6
SCHEMBL3104063 0.83 ALOX5 (0.55) ALOX5EPHX2KCNT1KCNQ2HDAC1
SCHEMBL30795194 0.83 ALOX5 (0.55) ALOX5EPHX2KCNT1KCNQ2HDAC1
SCHEMBL3106549 0.83 ALOX5 (0.62) ALOX5EPHX2KCNT1HDAC1HDAC6

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 25 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
US-20060264496-A1 Substituted indoline and indole derivatives H. LUNDBECK A/S (DK) 2006-11-23 US claimed
JP-2006524641-A 2006-11-02 JP claimed
CN-1777582-A Substituted indoline and indole derivatives LUNDBECK & CO AS H (DK) 2006-05-24 CN claimed
EP-1631546-A1 SUSTITUTED INDOLINE AND INDOLE DERIVATIVES H. Lundbeck A/S (DK) 2006-03-08 EP claimed
WO-2004096767-A1 SUSTITUTED INDOLINE AND INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 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
CN-101378742-B Use of KCNQ-openers for the preparation of a pharmaceutical composition for the treatment of schizophrenia LUNDBECK & CO AS H 2013-07-10 CN 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
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-20060264496-A1 Substituted indoline and indole derivatives H. LUNDBECK A/S (DK) 2006-11-23 US disclosed
CN-1777582-A Substituted indoline and indole derivatives LUNDBECK & CO AS H (DK) 2006-05-24 CN disclosed
EP-1631546-A1 SUSTITUTED INDOLINE AND INDOLE DERIVATIVES H. Lundbeck A/S (DK) 2006-03-08 EP disclosed
WO-2004096767-A1 SUSTITUTED INDOLINE AND INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 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-20060264496-A1 Substituted indoline and indole derivatives IDO1, IDO2, INMT ALOX5 2370/4885EPHX2 4540/4885KCNT1 1572/4885
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 ALOX5 1937/4885EPHX2 2742/4885KCNT1 39/4885

“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.