SCHEMBL1752484

SCHEMBL1752484

O=[N+]([O-])c1ccc(OCCN2CCN(c3cc(Cl)nnc3Cl)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
PTGS2 P35354 2/20 0.55
PTGS1 P23219 1/20 0.55
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 6/20 0.50
HRH3 Q9Y5N1 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD3 P35462 1/20 0.46
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
GAA P10253 1/20 0.44
GALR3 O60755 1/20 0.42
LMNA P02545 1/20 0.42
DRD1 P21728 1/20 0.41

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
SCHEMBL1752051 0.83 KCNA5 (0.48) KDM4EMAPTHRH3SMN1; SMN2DRD3
SCHEMBL1751133 0.83 CHIT1 (0.51) LTA4HPTGS2KDM4ETDP1SMN1; SMN2
SCHEMBL1751454 0.83 LTA4H (0.50) LTA4HALDH1A1KDM4EMAPTHRH3
SCHEMBL1752054 0.83 KDM4E (0.46) LTA4HPTGS2ALDH1A1KDM4EMAPT
SCHEMBL12050103 0.83 DRD2 (0.50) LTA4HCYP2D6SMN1; SMN2DRD3HRH1
SCHEMBL1751324 0.83 DRD1 (0.43) LTA4HPTGS2ALDH1A1KDM4EMAPT
SCHEMBL1752104 0.81 KDM4E (0.48) KDM4EMAPTHRH3HRH2HRH1
SCHEMBL1752163 0.81 CYP2D6 (0.50) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL1752005 0.81 HRH3 (0.54) ALDH1A1KDM4EHRH3DRD3HRH2
SCHEMBL1752577 0.81 KDM4E (0.56) KDM4EHRH3HRH2HRH1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900735-B1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS INST PHARM & TOXICOLOGY AMMS (CN) 2012-06-13 EP claimed
US-20110059978-A1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS LI SONG 2011-03-10 US claimed
US-20080269232-A1 Pyridazinyl Amine Derivatives, the Use Thereof in the Preparation of Picorna Virus Inhibitors INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2008-10-30 US claimed
EP-1900735-A1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2008-03-19 EP claimed
US-8410105-B2 Pyridazinyl amine derivatives, the use thereof in the preparation of picorna virus inhibitors INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2013-04-02 US disclosed
EP-1900735-B1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS INST PHARM & TOXICOLOGY AMMS (CN) 2012-06-13 EP disclosed
US-8076339-B2 Pyridazine compound; also useful against rhinovirus Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China of Beijing (CN) 2011-12-13 US disclosed
US-20110059978-A1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS LI SONG 2011-03-10 US disclosed
US-20080269232-A1 Pyridazinyl Amine Derivatives, the Use Thereof in the Preparation of Picorna Virus Inhibitors INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2008-10-30 US disclosed
EP-1900735-A1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2008-03-19 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-20110059978-A1 PYRIDAZINYL AMINE DERIVATIVES, THE USE THEREOF IN THE PREPARATION OF PICORNA VIRUS INHIBITORS RNASEH1, PIR, HAVCR2 LTA4H 3580/4885PTGS2 3480/4885PTGS1 3009/4885
US-20080269232-A1 Pyridazinyl Amine Derivatives, the Use Thereof in the Preparation of Picorna Virus Inhibitors RNASEH1, PIR, HAVCR2 LTA4H 3580/4885PTGS2 3480/4885PTGS1 3009/4885

“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.