SCHEMBL13019050

SCHEMBL13019050

Oc1nc(O)c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5nc6nc(O)nc(O)c6nc5-c5ccccc5)cc4)cc3)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HPGD P15428 2/20 0.46
PIK3CG P48736 2/20 0.42
DHFR P00374 1/20 0.42
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GPR55 Q9Y2T6 1/20 0.40
DHODH Q02127 2/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCL1 Q07820 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
POLB P06746 1/20 0.38
SCN9A Q15858 2/20 0.38
HTT P42858 2/20 0.38
ERBB2 P04626 1/20 0.38

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
SCHEMBL13019045 1.00 ALDH1A1 (0.46) ALDH1A1HPGDPIK3CGDHFRLMNA
SCHEMBL3533590 0.89 PIK3CG (0.50) ALDH1A1HPGDPIK3CGDHFRLMNA
SCHEMBL13078182 0.80 SCN9A (0.37) ALDH1A1HPGDDHODHKDM4ESCN9A
SCHEMBL3532507 0.74 PIK3CG (0.60) PIK3CGERBB2
SCHEMBL12954844 0.73 PIK3CG (0.70) ALDH1A1HPGDPIK3CGDHFRLMNA
SCHEMBL1162829 0.71 ERBB2 (0.50) ALDH1A1HPGDDHODHKDM4EERBB2
SCHEMBL4361291 0.68 PIK3CG (0.53) ALDH1A1HPGDPIK3CGDHFRLMNA
SCHEMBL12067539 0.68 DHFR (0.56) ALDH1A1PIK3CGDHFRLMNAMAPT
SCHEMBL14572520 0.67 RAB9A (0.50) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL18216993 0.66 NPC1 (0.41) ALDH1A1HPGDLMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC. 2010-11-04 US disclosed
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC. 2010-11-04 US disclosed
US-20070208019-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. 2007-09-06 US disclosed
US-20070208019-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. 2007-09-06 US disclosed
US-7208493-B2 Vasculostatic agents and methods of use thereof TARGEGEN, INC. (US) 2007-04-24 US disclosed
US-7208493-B2 Vasculostatic agents and methods of use thereof TARGEGEN, INC. (US) 2007-04-24 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 (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-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof RBP1, RBP4, VCAM1 ALDH1A1 745/4885HPGD 788/4885PIK3CG 2378/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 ALDH1A1 745/4885HPGD 788/4885PIK3CG 2378/4885
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 ALDH1A1 745/4885HPGD 788/4885PIK3CG 2378/4885

“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.