SCHEMBL401835

SCHEMBL401835

CNC(=O)c1ccc2ncc(C(=O)OCn3ccnc3)c(Nc3ccc(OC)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.51
GAA P10253 4/20 0.49
MEN1 O00255 1/20 0.49
SLC2A1 P11166 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 4/20 0.48
MAPT P10636 8/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
THRB P10828 1/20 0.47
HTT P42858 2/20 0.47
CLK1 P49759 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.47
MC4R P32245 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL401911 0.92 TBXAS1 (0.52) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL402972 0.91 PAX8 (0.49) PAX8GAAMEN1KMT2ATP53
SCHEMBL403648 0.85 PAX8 (0.68) PAX8GAAMEN1SLC2A1KMT2A
Hydrochloric Acid SCHEMBL15093957 0.84 PAX8 (0.70) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL3657702 0.84 PAX8 (0.57) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL402193 0.83 TBXAS1 (0.48) PAX8GAATP53MAPTSMN1; SMN2
SCHEMBL402202 0.83 PAX8 (0.55) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL3659497 0.83 PAX8 (0.58) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL402967 0.81 PAX8 (0.54) PAX8GAAMEN1SLC2A1KMT2A
SCHEMBL401857 0.81 PAX8 (0.56) PAX8GAAMEN1SLC2A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065199-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS CLANOTECH AB (SE) 2012-03-15 US claimed
US-9376393-B2 Quinoline compounds which are anti-angiogenic integrin alpha5 beta1 inhibitors for use in the treatment of fibrosis or fibrosis-related diseases CLANOTECH AB (SE) 2016-06-28 US disclosed
US-9376393-B2 Quinoline compounds which are anti-angiogenic integrin alpha5 beta1 inhibitors for use in the treatment of fibrosis or fibrosis-related diseases CLANOTECH AB (SE) 2016-06-28 US disclosed
US-9376393-B2 Quinoline compounds which are anti-angiogenic integrin alpha5 beta1 inhibitors for use in the treatment of fibrosis or fibrosis-related diseases CLANOTECH AB (SE) 2016-06-28 US disclosed
US-20150031723-A1 Quinoline Compounds Which Are Anti-Angiogenic Integrin Alpha5 Beta1 Inhibitors for Use in the Treatment of Fibrosis or Fibrosis-Related Diseases CLANOTECH AB (SE) 2015-01-29 US disclosed
US-20150031723-A1 Quinoline Compounds Which Are Anti-Angiogenic Integrin Alpha5 Beta1 Inhibitors for Use in the Treatment of Fibrosis or Fibrosis-Related Diseases CLANOTECH AB (SE) 2015-01-29 US disclosed
US-20150031723-A1 Quinoline Compounds Which Are Anti-Angiogenic Integrin Alpha5 Beta1 Inhibitors for Use in the Treatment of Fibrosis or Fibrosis-Related Diseases CLANOTECH AB (SE) 2015-01-29 US disclosed
WO-2013103317-A1 QUINOLINE COMPOUNDS WHICH ARE ANTI-ANGIOGENIC INTEGRIN ALPHA5 BETAL INHIBITORS FOR USE IN THE TREATMENT OF FIBROSIS OR FIBROSIS-RELATED DISEASES CLANOTECH AB (SE) 2013-07-11 WO disclosed
EP-2432764-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS ClanoTech AB (SE) 2012-03-28 EP disclosed
US-20120065199-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS CLANOTECH AB (SE) 2012-03-15 US disclosed
US-20120065199-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS CLANOTECH AB (SE) 2012-03-15 US disclosed
US-20120065199-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS CLANOTECH AB (SE) 2012-03-15 US disclosed
WO-2010133669-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS CLANOTECH AB (SE) 2010-11-25 WO disclosed
WO-2010133669-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS CLANOTECH AB (SE) 2010-11-25 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 (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-20150031723-A1 Quinoline Compounds Which Are Anti-Angiogenic Integrin Alpha5 Beta1 Inhibitors for Use in the Treatment of Fibrosis or Fibrosis-Related Diseases ITGB5, ITGA5, ITGAL PAX8 381/4885GAA 1857/4885MEN1 2381/4885
US-20120065199-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS FLT1, FLT4, VEGFA PAX8 1573/4885GAA 1641/4885MEN1 2837/4885

“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.