SCHEMBL1752953

SCHEMBL1752953

c1ccc(-c2cc(N3CCOCC3)c(N3CCN(c4ncccn4)CC3)nn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.49
ALDH1A1 P00352 4/20 0.48
METAP1 P53582 1/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 2/20 0.44
PIK3CA P42336 1/20 0.44
HSD17B10 Q99714 3/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
SCN9A Q15858 1/20 0.43
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL1752911 0.92 HTT (0.51) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL1752873 0.90 ALDH1A1 (0.56) MTORALDH1A1MAPTLMNAHTT
SCHEMBL1753038 0.88 KDM4E (0.48) ALDH1A1METAP1MAPTLMNAHTT
SCHEMBL1753060 0.86 HIF1A (0.48) ALDH1A1METAP1MAPTLMNAHTT
SCHEMBL27705057 0.85 KDM4E (0.50) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL14385766 0.82 ALDH1A1 (0.49) MTORALDH1A1MAPTHTTGAA
SCHEMBL29572108 0.80 SLC6A7 (0.56) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL720267 0.80 SLC6A7 (0.56) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL1753159 0.80 HSD17B10 (0.48) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL1753045 0.78 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2063894-B1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS FOR TREATING NEUROINFLAMMATORY DISEASES UNIV NORTHWESTERN (US) 2019-08-28 EP disclosed
US-9663493-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed
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-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-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2016-11-10 US disclosed
US-9408845-B2 Formulations containing pyridazine compounds NORTHWESTERN UNIVERSITY (US) 2016-08-09 US disclosed
US-9408845-B2 Formulations containing pyridazine compounds NORTHWESTERN UNIVERSITY (US) 2016-08-09 US disclosed
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2015-06-25 US disclosed
US-20090325973-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-31 US disclosed
US-20090325973-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-31 US 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
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
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods UNIVERSITE DE STRASBOURG (FR) 2008-12-25 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 MTOR 156/4885ALDH1A1 2748/4885METAP1 3918/4885
US-20090325973-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS TST, SRMS, STS MTOR 68/4885ALDH1A1 3001/4885METAP1 3371/4885
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 MTOR 531/4885ALDH1A1 2113/4885METAP1 769/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 MTOR 120/4885ALDH1A1 2777/4885METAP1 3786/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP MTOR 156/4885ALDH1A1 2748/4885METAP1 3918/4885

“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.