SCHEMBL4125652

SCHEMBL4125652

c1cc2cc(OCCN3CCOCC3)ccc2[nH]1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.78
PDGFRB P09619 1/20 0.59
PDGFRA P16234 1/20 0.59
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
DRD2 P14416 3/20 0.57
DRD3 P35462 3/20 0.57
MAPT P10636 1/20 0.56
NPC1 O15118 2/20 0.54
PRKCQ Q04759 2/20 0.54
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
AURKA O14965 1/20 0.49
KDR P35968 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL28917601 0.88 LTA4H (1.00) LTA4HPDGFRBPDGFRADRD2DRD3
SCHEMBL28917645 0.86 LTA4H (0.97) LTA4HPDGFRBPDGFRADRD2DRD3
Tert-Butyl Formate SCHEMBL27623614 0.83 LTA4H (0.55) LTA4HPDGFRBPDGFRAALDH1A1DRD2
SCHEMBL5830621 0.82 KDM4E (0.58) LTA4HPDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL31159472 0.80 LTA4H (0.85) LTA4HDRD2DRD3HRH3
SCHEMBL13460615 0.80 PDGFRB (0.63) LTA4HPDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL1267865 0.80 CD274 (0.53) LTA4HKDM4EALDH1A1MAPTNPC1
SCHEMBL17384760 0.79 LTA4H (0.84) LTA4HKDM4EDRD2DRD3HRH3
SCHEMBL4420934 0.79 NPC1 (0.65) LTA4HPDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL7095054 0.79 SYK (0.53) LTA4HDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 EP disclosed
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors AVENTIS PHARMA S.A. (FR) 2009-10-08 US disclosed
EP-1633738-A2 NOVEL INDOLE DERIVATIVES, METHOD OF PREPARING SAME IN THE FORM OF MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, KDR INHIBITORS Aventis Pharma S.A. (FR) 2006-03-15 EP disclosed
US-20040242559-A1 Novel indole derivatives, preparation thereof as medicinal products and pharmaceutical compositions, and especially as KDR inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-02 US disclosed
WO-2004096792-A2 NOVEL INDOLE DERIVATIVES, METHOD OF PREPARING SAME IN THE FORM OF MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, KDR INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-11-11 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-20040242559-A1 Novel indole derivatives, preparation thereof as medicinal products and pharmaceutical compositions, and especially as KDR inhibitors FLT4, KDR, CYP3A4 LTA4H 1402/4885PDGFRB 172/4885PDGFRA 266/4885
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors KDR, FLT1, FLT4 LTA4H 2536/4885PDGFRB 5/4885PDGFRA 12/4885
US-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 LTA4H 4868/4885PDGFRB 2142/4885PDGFRA 1500/4885

“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.