SCHEMBL13019019

SCHEMBL13019019

Nc1cccc2ncc(-c3ccccc3)nc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TLR9 Q9NR96 1/20 0.53
PARP1 P09874 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
NOS1 P29475 1/20 0.47
ACHE P22303 1/20 0.46
BCHE P06276 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
ATR Q13535 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ASIC3 Q9UHC3 1/20 0.43

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
SCHEMBL13019020 0.86 NPC1 (0.53) NPC1RAB9ATLR9PARP1SMN1; SMN2
SCHEMBL9885994 0.81 MET (0.54) NPC1RAB9ATLR9PARP1SMN1; SMN2
SCHEMBL28221938 0.79 NPC1 (0.60) NPC1RAB9ATLR9PARP1SMN1; SMN2
SCHEMBL31353303 0.79 RAB9A (0.47) NPC1RAB9ATLR9PARP1SMN1; SMN2
SCHEMBL7111338 0.76 PARP1 (0.80) PARP1PARP2ALDH1A1
SCHEMBL31353535 0.76 NPC1 (0.45) NPC1RAB9ATLR9PARP1SMN1; SMN2
SCHEMBL8677705 0.76 TLR9 (0.45) NPC1RAB9ATLR9PARP1SMN1; SMN2
SCHEMBL8678988 0.76 BCHE (0.45) NPC1RAB9ATLR9PARP1SMN1; SMN2
SCHEMBL1034874 0.76 PARP1 (0.62) PARP1SMN1; SMN2BCHEPARP2ALDH1A1
SCHEMBL29371290 0.75 NPC1 (0.71) NPC1RAB9ATLR9SMN1; SMN2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039683-B1 Vasculostatic agents and methods of use thereof TARGEGEN INC (US) 2012-12-19 EP disclosed
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
EP-2039683-A2 Vasculostatic agents and methods of use thereof Targegen, Inc. (US) 2009-03-25 EP 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 NPC1 3302/4885RAB9A 482/4885TLR9 1174/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 NPC1 3302/4885RAB9A 482/4885TLR9 1174/4885
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 NPC1 3302/4885RAB9A 482/4885TLR9 1174/4885

“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.