SCHEMBL1749974

SCHEMBL1749974

c1ccc(C2CC[N]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
MAOB P27338 8/20 0.42
MAOA P21397 7/20 0.42
KDM1A O60341 5/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2B6 P20813 3/20 0.42
TAAR1 Q96RJ0 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2A6 P11509 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL3115176 0.83 NOS1 (0.48) NOS1NOS2MAOBMAOAKDM1A
SCHEMBL546334 0.83 NOS1 (0.48) NOS1NOS2MAOBMAOAKDM1A
SCHEMBL4751341 0.83 NOS1 (0.48) NOS1NOS2MAOBMAOAKDM1A
SCHEMBL186274 0.81 NOS1 (0.52) NOS1NOS2MAOBMAOAKDM1A
SCHEMBL8542775 0.80 NOS1 (0.50) NOS1NOS2MAOBMAOAKDM1A
SCHEMBL3173918 0.80 NOS1 (0.50) NOS1NOS2MAOBMAOAKDM1A
SCHEMBL972814 0.78 NOS1 (0.40) NOS1NOS2MAOBMAOAKDM1A
SCHEMBL10784842 0.78
SCHEMBL8648535 0.77 MAOB (0.38) NOS1NOS2MAOBMAOAKDM1A
SCHEMBL6311085 0.76 NOS1 (0.45) NOS1NOS2MAOBMAOAKDM1A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026061-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE BIOGEN MA INC. (US) 2024-02-01 WO claimed
EP-1753743-B1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-03-04 EP claimed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
US-7507734-B2 Pyridazinone derivatives AVENTIS PHARMA S.A. (FR) 2009-03-24 US claimed
US-20070259870-A1 Novel Pyridazinone Derivatives AVENTIS PHARMA S.A. (FR) 2007-11-08 US claimed
US-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 US claimed
EP-1753743-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis Deutschland GmbH (DE) 2007-02-21 EP claimed
EP-1751141-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 Aventis Pharma S.A. (FR) 2007-02-14 EP claimed
EP-1604988-A1 Pyridazinone derivatives, methods for producing them and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2005-12-14 EP claimed
WO-2005111018-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-11-24 WO claimed
WO-2005111019-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 AVENTIS PHARMA S.A. (FR) 2005-11-24 WO claimed
EP-1598348-A1 Novel pyridazinone derivatives as inhibitors of CDK2 Aventis Pharma Deutschland GmbH (DE) 2005-11-23 EP claimed
WO-2024026061-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE BIOGEN MA INC. (US) 2024-02-01 WO disclosed
US-20180340174-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2018-11-29 US disclosed
EP-3218479-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS Nanocore ApS (DK) 2017-09-20 EP disclosed
WO-2005111018-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-11-24 WO disclosed
WO-2005111019-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 AVENTIS PHARMA S.A. (FR) 2005-11-24 WO disclosed
EP-1598348-A1 Novel pyridazinone derivatives as inhibitors of CDK2 Aventis Pharma Deutschland GmbH (DE) 2005-11-23 EP 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-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS GSK3B, GSK3A, PDXK NOS1 2643/4885NOS2 2561/4885MAOB 613/4885
US-20070259870-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 NOS1 4305/4885NOS2 4072/4885MAOB 1341/4885

“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.