SCHEMBL2108800

SCHEMBL2108800

CCCC[C](c1ccccc1)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
CES2 O00748 3/20 0.49
CES1 P23141 3/20 0.49
HPGD P15428 4/20 0.47
ESR1 P03372 1/20 0.44
ALDH1A1 P00352 7/20 0.43
USP2 O75604 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
CNR2 P34972 2/20 0.40

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
SCHEMBL2108565 0.82 HPGD (0.53) CES2CES1HPGDESR1ALDH1A1
SCHEMBL3386455 0.72 HPGD (0.46) HPGDALDH1A1USP2KMT2AMEN1
Butane SCHEMBL1858566 0.72 HPGD (0.82) HPGDALDH1A1USP2KMT2AMEN1
Hexane SCHEMBL28857999 0.69 DRD2 (0.56) HPGDALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3310869 0.69 MEN1 (0.52) HPGDALDH1A1KMT2AMEN1TDP1
SCHEMBL2107138 0.69 HPGD (0.59) HPGDALDH1A1USP2KMT2AMEN1
Hexadecane SCHEMBL28172309 0.68 DRD2 (0.55) KMT2AL3MBTL1GAALMNASMN1; SMN2
SCHEMBL9358575 0.68 PTGS2 (0.80) PTGS2CES2CES1ESR1
SCHEMBL9358580 0.68 PTGS2 (0.80) PTGS2CES2CES1ESR1
SCHEMBL6885362 0.68 PTGS2 (0.61) PTGS2CES2CES1ESR1ALDH1A1

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 PTGS2 53/4885CES2 3578/4885CES1 3575/4885
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 PTGS2 395/4885CES2 698/4885CES1 364/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 PTGS2 395/4885CES2 698/4885CES1 364/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 PTGS2 71/4885CES2 3578/4885CES1 3805/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP PTGS2 51/4885CES2 3575/4885CES1 3564/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP PTGS2 53/4885CES2 3578/4885CES1 3575/4885

“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.