SCHEMBL401855

SCHEMBL401855

CNC(=O)c1ccc2ncc(C(=O)OCN(C)C(=O)c3ccccc3)c(Nc3ccc(OC)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.52
TP53 P04637 4/20 0.51
MAPT P10636 8/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
THRB P10828 1/20 0.51
CREBBP Q92793 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
PDE4B Q07343 1/20 0.48
NUDT1 P36639 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
SLC2A1 P11166 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.46
CLK1 P49759 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL402964 0.90 PAX8 (0.53) PAX8TP53MAPTSMN1; SMN2THRB
SCHEMBL402969 0.86 PAX8 (0.51) PAX8TP53MAPTSMN1; SMN2THRB
SCHEMBL403648 0.84 PAX8 (0.68) PAX8TP53MAPTSMN1; SMN2THRB
SCHEMBL401857 0.84 PAX8 (0.56) PAX8TP53MAPTSMN1; SMN2THRB
SCHEMBL402967 0.84 PAX8 (0.54) PAX8TP53MAPTSMN1; SMN2THRB
Hydrochloric Acid SCHEMBL15093957 0.84 PAX8 (0.70) PAX8TP53MAPTSMN1; SMN2THRB
SCHEMBL3657702 0.83 PAX8 (0.57) PAX8TP53MAPTSMN1; SMN2THRB
SCHEMBL3659497 0.82 PAX8 (0.58) PAX8TP53MAPTSMN1; SMN2THRB
SCHEMBL402202 0.82 PAX8 (0.55) PAX8TP53MAPTSMN1; SMN2THRB
SCHEMBL29744204 0.81 CSF1R (0.55) PAX8SMN1; SMN2CREBBPPDE4BNUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432764-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS ClanoTech AB (SE) 2012-03-28 EP claimed
US-20120065199-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS CLANOTECH AB (SE) 2012-03-15 US claimed
WO-2010133669-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS CLANOTECH AB (SE) 2010-11-25 WO 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 381/4885TP53 4159/4885MAPT 4699/4885
US-20120065199-A1 SUBSTITUTED QUINOLINES FOR USE AS VEGF INHIBITORS FLT1, FLT4, VEGFA PAX8 1573/4885TP53 58/4885MAPT 231/4885

“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.