SCHEMBL9976246

SCHEMBL9976246

O=COc1cc(-c2ccccc2)nnc1NCCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.39
GSK3A P49840 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
ACHE P22303 1/20 0.36
PDE5A O76074 1/20 0.36
ILK Q13418 1/20 0.36
PTPN1 P18031 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1753074 0.79 ALDH1A1 (0.42) LTB4RGSK3ASIRT5ACHEALDH1A1
SCHEMBL1752899 0.67 PDE5A (0.55) ACHEPDE5AALDH1A1
SCHEMBL2739430 0.66 ACHE (0.57) ACHESMN1; SMN2
SCHEMBL2760423 0.65 ACHE (0.64) ACHE
SCHEMBL1752824 0.64 MAPK1 (0.50) ACHEALDH1A1SMN1; SMN2
SCHEMBL18212598 0.64 PDE5A (0.47) GSK3AACHEPDE5AMEN1ALDH1A1
SCHEMBL1752803 0.64 ACHE (0.58) ACHEPDE5AALDH1A1
SCHEMBL10744017 0.63 ACHE (0.54) ACHEMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1752908 0.63 CASP1 (0.56) ACHEALDH1A1
SCHEMBL1752857 0.62 ACHE (0.68) ACHE

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 6 patents. 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-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

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

For each of this compound's patents that has machine-readable text (4 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 LTB4R 226/4885GSK3A 152/4885SIRT5 261/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 LTB4R 471/4885GSK3A 18/4885SIRT5 552/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP LTB4R 225/4885GSK3A 150/4885SIRT5 277/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP LTB4R 226/4885GSK3A 152/4885SIRT5 261/4885

“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.