SCHEMBL8771985

SCHEMBL8771985

O=C(N/N=C/c1cccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)c1)c1ccc(N2CCCC2=O)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.86
DUSP3 P51452 1/20 0.86
PTPN5 P54829 1/20 0.86
PTPN11 Q06124 1/20 0.86
NPC1 O15118 6/20 0.70
RAB9A P51151 4/20 0.70
TDP1 Q9NUW8 5/20 0.69
MAPT P10636 4/20 0.69
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 4/20 0.62
KMT2A Q03164 4/20 0.61
GFER P55789 2/20 0.61
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
NCOA1 Q15788 1/20 0.52
PLEC Q15149 1/20 0.51

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
SCHEMBL12937822 0.90 POLB (1.00) POLBDUSP3PTPN5PTPN11NPC1
SCHEMBL12937840 0.84 NPC1 (0.85) POLBDUSP3PTPN5PTPN11NPC1
SCHEMBL12937835 0.82 NPC1 (1.00) POLBDUSP3PTPN5PTPN11NPC1
SCHEMBL12937828 0.82 MAPT (0.78) POLBDUSP3PTPN5PTPN11NPC1
SCHEMBL12937838 0.82 POLB (0.78) POLBDUSP3PTPN5PTPN11NPC1
SCHEMBL12937824 0.82 NPC1 (0.70) POLBDUSP3PTPN5PTPN11NPC1
SCHEMBL8769257 0.82 CA2 (0.65) POLBDUSP3PTPN5PTPN11NPC1
SCHEMBL8292052 0.78 POLB (0.70) POLBDUSP3PTPN5PTPN11NPC1
SCHEMBL8768854 0.77 ALDH1A1 (0.74) POLBDUSP3PTPN5PTPN11NPC1
SCHEMBL8769050 0.76 POLB (0.72) POLBDUSP3PTPN5PTPN11NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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 (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL POLB 3018/4885DUSP3 3232/4885PTPN5 689/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF POLB 3224/4885DUSP3 3239/4885PTPN5 948/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF POLB 3224/4885DUSP3 3239/4885PTPN5 948/4885

“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.