SCHEMBL3112901

SCHEMBL3112901

CCCOC(=O)Nc1c(C)cc(NCc2cnc(-c3ccccc3)nc2C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 3/20 0.38
TSHR P16473 3/20 0.37
POLB P06746 2/20 0.37
GLA P06280 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
HDAC1 Q13547 1/20 0.35

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
SCHEMBL30814237 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPK1MAPTLMNA
SCHEMBL3638240 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPK1MAPTLMNA
SCHEMBL3101012 0.71 HDAC1 (0.41) SMN1; SMN2MAPK1MAPTLMNANPC1
SCHEMBL3106488 0.70 KCNQ3 (0.55) ALDH1A1SMN1; SMN2MAPK1MAPTHPGD
SCHEMBL2072553 0.69 POLB (0.48) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL30796020 0.69 POLB (0.48) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL3102403 0.68 ACACB (0.40) ALDH1A1MAPK1LMNANPC1RAB9A
SCHEMBL3104075 0.68 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAPK1LMNAHPGD
SCHEMBL3112934 0.68 KCNQ2 (0.52) ALDH1A1MAPK1HPGDCYP1A2CYP2C9
SCHEMBL11982021 0.68 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPK1MAPTLMNA

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 19 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
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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2010-03-11 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
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-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-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 disclosed
US-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
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 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
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 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 (4 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 ALDH1A1 3282/4885SMN1; SMN2 3902/4885MAPK1 3111/4885
US-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES NDUFS3, NAT1, PRMT3 ALDH1A1 206/4885SMN1; SMN2 4052/4885MAPK1 2784/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 ALDH1A1 178/4885SMN1; SMN2 1908/4885MAPK1 1940/4885
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 ALDH1A1 1575/4885SMN1; SMN2 1130/4885MAPK1 2306/4885

“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.