SCHEMBL5118047

SCHEMBL5118047

[CH2]c1ccc(C)c2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.61
PSMD14 O00487 2/20 0.61
COPS5 Q92905 2/20 0.61
SLC6A2 P23975 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.52
NPC1 O15118 2/20 0.52
HSP90AA1 P07900 2/20 0.52
CCR1 P32246 4/20 0.52
CCR8 P51685 4/20 0.52
CCR5 P51681 3/20 0.50
SLC40A1 Q9NP59 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 4/20 0.44
CYP1A2 P05177 1/20 0.41
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
MAPK1 P28482 2/20 0.38
AGTR1 P30556 2/20 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
SCHEMBL812451 0.83 HTT (0.70) HTTPSMD14COPS5SLC6A2L3MBTL1
SCHEMBL15478965 0.76 HTT (0.61) HTTPSMD14COPS5SLC6A2L3MBTL1
Tiliquinol SCHEMBL145245 0.76 HTT (1.00) HTTPSMD14COPS5SLC6A2L3MBTL1
SCHEMBL29800867 0.76 PSMD14 (0.61) HTTPSMD14COPS5SLC6A2L3MBTL1
SCHEMBL5545027 0.76 HTT (0.61) HTTPSMD14COPS5SLC6A2L3MBTL1
SCHEMBL18757318 0.76 HTT (0.61) HTTPSMD14COPS5SLC6A2L3MBTL1
SCHEMBL2208961 0.76 KDM4E (0.61) HTTL3MBTL1NPC1HSP90AA1CCR1
SCHEMBL3717647 0.76 PSMD14 (0.61) HTTPSMD14COPS5SLC6A2L3MBTL1
SCHEMBL13977568 0.76 PSMD14 (1.00) HTTPSMD14COPS5SLC6A2L3MBTL1
Tiliquinol SCHEMBL30831638 0.76 HTT (1.00) HTTPSMD14COPS5SLC6A2L3MBTL1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US claimed
EP-1036063-B1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-11-02 EP claimed
US-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-09-21 US claimed
US-7029654-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2006-04-18 US claimed
US-20040106633-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-06-03 US claimed
US-6706021-B2 ANTICOAGULANT FOR CATHETERS, DIALYSIS MACHINES, SYRINGES, TUBES, BLOOD LINES AND STENTS; TRYPSIN-LIKE SERINE PROTEASES SUCH AS THROMBIN; 3-BENZYLSULFONYLAMINO-6-METHYL-1-((2-GUANIDINOOXYETHYL) AMINOCARBONYLMETHYL)-2-PYRIDINONE 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-03-16 US claimed
US-20030225115-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-12-04 US claimed
CN-1125051-C Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors DIMENSIONAL PHARM INC (US) 2003-10-22 CN claimed
US-6566379-B1 As proteolytic enzyme inhibitors; thrombin inhibitors; for therapy of pancreatitis, thrombosis, ischemia, stroke, restenosis, emphysema or inflammation in a mammal 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-20 US claimed
US-20030087921-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-08 US claimed
US-20020007070-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors LU TIANBAO (US) 2002-01-17 US claimed
US-6326492-B1 ANTICOAGULANT 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-12-04 US claimed
CN-1283189-A Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors DIMENSIONAL PHARM INC (US) 2001-02-07 CN claimed
EP-1036063-A1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-09-20 EP claimed
US-6037356-A ANTICOAGULANTS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-14 US claimed
WO-1999026926-A1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed
EP-1036063-B1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-11-02 EP disclosed
WO-2000073302-A1 OXAZAHETEROCYCLES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-12-07 WO disclosed
US-6037356-A ANTICOAGULANTS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-14 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 (5 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-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 HTT 773/4885PSMD14 1213/4885COPS5 1344/4885
US-20030225115-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R HTT 1042/4885PSMD14 2160/4885COPS5 2489/4885
US-20020007070-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, PLAT HTT 1041/4885PSMD14 2049/4885COPS5 2374/4885
US-20030087921-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R HTT 1042/4885PSMD14 2160/4885COPS5 2489/4885
US-20040106633-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 HTT 1027/4885PSMD14 2135/4885COPS5 2541/4885

“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.