SCHEMBL2108563

SCHEMBL2108563

[CH2]c1ccccc1N1CCCCC1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.49
NR1I2 O75469 2/20 0.43
SMARCA2 P51531 2/20 0.43
SMARCA4 P51532 2/20 0.43
PBRM1 Q86U86 2/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HIF1A Q16665 2/20 0.43
NPY5R Q15761 1/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL2108799 0.85 AR (0.37) ARNR1I2SMARCA2SMARCA4PBRM1
SCHEMBL2107135 0.79 BCHE (0.47) ARNR1I2SMARCA2SMARCA4PBRM1
SCHEMBL2110123 0.77 SLC6A2 (0.46)
SCHEMBL25956608 0.77 MAPT (0.49) ARNR1I2SMARCA2SMARCA4PBRM1
SCHEMBL2462253 0.76 NOS1 (0.36) NR1I2SMARCA2SMARCA4PBRM1NR1H2
Hydrochloric Acid SCHEMBL29156845 0.76 HPGD (0.48) ARHPGDMAPTALDH1A1HIF1A
SCHEMBL23043647 0.72 NR1I2 (0.46) ARNR1I2SMARCA2SMARCA4PBRM1
SCHEMBL29978338 0.72 NR1I2 (0.46) ARNR1I2SMARCA2SMARCA4PBRM1
SCHEMBL8404390 0.71 AR (0.51) ARNR1I2SMARCA2SMARCA4PBRM1
SCHEMBL3284968 0.71 ALDH1A1 (0.38) ARNR1I2SMARCA2SMARCA4PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663493-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed
US-9527819-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY 2016-12-27 US disclosed
US-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2016-11-10 US disclosed
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2015-06-25 US disclosed
US-8933076-B2 Pyridazine compounds, compositions and methods CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-01-13 US disclosed
EP-2592075-A1 Pyridazine compounds for the treatment of inflammatory diseases Northwestern University (US) 2013-05-15 EP disclosed
US-8367672-B2 Pyridazine compounds, compositions and methods UNIVERSITE DE STRASBOURG (FR) 2013-02-05 US disclosed
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITE LOUIS PASTEUR DE STRASBOURG (FR) 2012-09-27 US disclosed
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS U.S. GOVERNMENT (US) 2012-06-21 US disclosed
US-8158627-B2 Compositions and treatments using pyridazine compounds and cholinesterase inhibitors NORTHWESTERN UNIVERSITY (US) 2012-04-17 US disclosed
EP-2131839-A2 COMPOSITIONS COMPRISING DERIVATIVES OF 3-PHENYLPYRIDAZINE FOR TREATING SEIZURE-RELATED DISORDERS Northwestern University (US) 2009-12-16 EP disclosed
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
EP-2015750-A2 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS Northwestern University (US) 2009-01-21 EP disclosed
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods UNIVERSITE DE STRASBOURG (FR) 2008-12-25 US disclosed
WO-2008109437-A2 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS NORTHWESTERN UNIVERSITY (US) 2008-09-12 WO disclosed
WO-2007130383-A2 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND SECRETASES NORTHWESTERN UNIVERSITY (US) 2007-11-15 WO disclosed
WO-2007127475-A2 PYRIDAZINES FOR DEMYELINATING DISEASES AND NEUROPATHIC PAIN NORTHWESTERN UNIVERSITY (US) 2007-11-08 WO disclosed
WO-2007127474-A2 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2007-11-08 WO disclosed
EP-1812408-A2 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS Northwestern University (US) 2007-08-01 EP disclosed
WO-2006050389-A2 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2006-05-11 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 (6 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-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP AR 2966/4885NR1I2 1669/4885SMARCA2 3406/4885
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 AR 3746/4885NR1I2 2151/4885SMARCA2 3601/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 AR 3746/4885NR1I2 2151/4885SMARCA2 3601/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 AR 2875/4885NR1I2 1505/4885SMARCA2 3345/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP AR 2927/4885NR1I2 1636/4885SMARCA2 3375/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP AR 2966/4885NR1I2 1669/4885SMARCA2 3406/4885

“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.