SCHEMBL13063494

SCHEMBL13063494

Nc1ccc2nc(-c3ccc(O[PH](O)(O)O)cc3)c(-c3ccc(O[PH](O)(O)O)cc3)nc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
NCF1 P14598 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3CG P48736 2/20 0.31
ATM Q13315 1/20 0.31
TLR9 Q9NR96 1/20 0.31
PDE10A Q9Y233 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
BACE1 P56817 2/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL14315551 0.91 MEN1 (0.30) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL14417710 0.79 ALDH1A1 (0.35) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL3740970 0.78 PIK3CG (0.50) KMT2AMEN1MAPTPIK3CGATM
SCHEMBL3734818 0.77 HSD17B10 (0.42) ALDH1A1LMNAMAPTGPR55NCF1
SCHEMBL13019184 0.77 GRB2 (0.47) ALDH1A1KMT2ALMNAMEN1MAPT
Hydrochloric Acid SCHEMBL3739908 0.70 PIK3CG (0.52) LMNAMAPTKDM4EPIK3CG
SCHEMBL13019165 0.67 PIK3CG (0.63) ALDH1A1LMNAMAPTPIK3CGCYP3A4
Hydrochloric Acid SCHEMBL3741616 0.66 PIK3CG (0.61) ALDH1A1LMNAMAPTPIK3CGCYP3A4
SCHEMBL5802570 0.58 NOS2 (0.48) ALDH1A1KMT2ALMNAMAPTNCF1
SCHEMBL13083328 0.58 SMN1; SMN2 (0.46) ALDH1A1KMT2ALMNAMEN1MAPT

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 3 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-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC. 2010-11-04 US disclosed
EP-2039683-A2 Vasculostatic agents and methods of use thereof Targegen, Inc. (US) 2009-03-25 EP 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-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof RBP1, RBP4, VCAM1 ALDH1A1 745/4885KMT2A 4864/4885LMNA 3256/4885
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 ALDH1A1 745/4885KMT2A 4864/4885LMNA 3256/4885

“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.