SCHEMBL1925010

SCHEMBL1925010

[O-][n+]1ncccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
HTT P42858 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
NTSR1 P30989 3/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
UHRF1 Q96T88 1/20 0.37
NOTUM Q6P988 1/20 0.36
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDPK1 O15530 1/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR2F2 P24468 1/20 0.33
RAD52 P43351 1/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL9529617 0.82 ESR1 (0.37) HTTNPC1RAB9ANTSR1ALDH1A1
SCHEMBL14164178 0.77 CLK4 (0.46) KDM4EHTTNPC1RAB9ANPSR1
SCHEMBL18093520 0.74 KDM4E (0.48) KDM4EHTTNPC1RAB9AMAPK1
SCHEMBL8305162 0.71 KMO (0.38)
SCHEMBL11481810 0.71 ALDH1A1 (0.36) KDM4EHTTNPC1RAB9ANTSR1
SCHEMBL4144064 0.71 ALDH1A1 (0.44) KDM4EHTTNPC1RAB9ANTSR1
SCHEMBL2794940 0.68 RAB9A (0.38) KDM4EHTTNPC1RAB9ANTSR1
SCHEMBL11122896 0.67 CYP2A6 (0.35) KDM4EHTTNPC1RAB9ANTSR1
SCHEMBL316983 0.65 HTT (0.44) KDM4EHTTNPC1RAB9ANTSR1
SCHEMBL11063868 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113980001-B Pyrazolol-pyridazinone coupling compound, pharmaceutical composition thereof and application of pyrazolol-pyridazinone coupling compound in medicines 贵州医科大学 2024-01-30 CN disclosed
CN-113980001-A Pyrazole alcohol-pyridazinone coupling compound, pharmaceutical composition thereof and application thereof in medicines 贵州医科大学 2022-01-28 CN disclosed
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-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-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
EP-2592075-B1 PYRIDAZINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIV NORTHWESTERN (US) 2015-04-29 EP disclosed
US-8933076-B2 Pyridazine compounds, compositions and methods CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-01-13 US disclosed
US-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases KOWA CO., LTD. (JP) 2006-06-29 US disclosed
WO-2006050389-A2 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2006-05-11 WO disclosed
EP-1604984-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVE AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2005-12-14 EP disclosed
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-04-21 US disclosed
US-6869954-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-22 US disclosed
US-6861428-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-01 US disclosed
EP-1431293-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2004-06-23 EP disclosed
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2004-01-01 US disclosed
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2003-06-26 US disclosed
US-6063781-A MITICIDES, INSECTICIDES AND NEMATOCIDES CROMPTON CO./CIE (CA) 2000-05-16 US 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-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases IL1B, IL1A, IL1R1 KDM4E 1724/4885HTT 2995/4885NPC1 858/4885
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 KDM4E 3153/4885HTT 3542/4885NPC1 710/4885
US-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP KDM4E 2926/4885HTT 323/4885NPC1 2242/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 KDM4E 3003/4885HTT 3001/4885NPC1 708/4885
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 KDM4E 2337/4885HTT 3302/4885NPC1 558/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP KDM4E 2926/4885HTT 323/4885NPC1 2242/4885

“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.