SCHEMBL6419683

SCHEMBL6419683

CCc1cccc(NC(=N)Nc2cccc(CC)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.55
MAPT P10636 4/20 0.55
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54

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
SCHEMBL6720946 0.92 RAPGEF4 (0.50) SIGMAR1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL6720806 0.92 RAPGEF4 (0.50) SIGMAR1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL7644738 0.91 SIGMAR1 (0.51) SIGMAR1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL6717039 0.87 SIGMAR1 (0.48) SIGMAR1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL6727963 0.87 MEN1 (0.56) SIGMAR1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL6717309 0.87 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HPGDMEN1RAB9A
SCHEMBL14367988 0.87 SIGMAR1 (0.54) SIGMAR1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL2455925 0.87 SIGMAR1 (0.55) SIGMAR1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL6719069 0.86 MAPT (0.56) SIGMAR1MAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL6724467 0.86 PTGER3 (0.55) SIGMAR1MAPTSMN1; SMN2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US claimed
US-6358696-B1 ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF ONE OR MORE SUBSTITUTED GUANIDINES TO TREAT DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2002-03-19 US claimed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO claimed
US-4906779-A N,N'-disubstituted guanidines and their use as excitatory amino acid antagonists STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1990-03-06 US claimed
US-20050031651-A1 Administering a combination of an agent that treats an amyloid-P disease, neurodegeneration, or cellular toxicity; and said second agent is a therapeutic drug or nutritive supplement BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2005-02-10 US disclosed
US-6673557-B2 ADMINISTERING SUBSTITUED GUANIDINE COMPOUNDS FOR THERAPY OF DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2004-01-06 US disclosed
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US disclosed
EP-0517852-B1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS OREGON STATE (US) 2002-07-10 EP disclosed
US-6358696-B1 ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF ONE OR MORE SUBSTITUTED GUANIDINES TO TREAT DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2002-03-19 US disclosed
US-6251948-B1 Tri-and tetra-substituted guanidines and their use as excitatory amino acid antagonists STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON 2001-06-26 US disclosed
US-6242198-B1 ADMINISTERING GUANIDINE COMPOUND CAMBRIDGE NEUROSCIENCE, INC. 2001-06-05 US disclosed
US-5262568-A Neuroprotective compounds, high binding affinity for phencyclidine, nervous system disorders STATE OF OREGON (US) 1993-11-16 US disclosed
WO-1993017555-A1 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1993-09-16 WO disclosed
US-5190976-A Neuroprotective STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND UNIVERSITY OF OREGON (US) 1993-03-02 US disclosed
EP-0517852-A1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1992-12-16 EP disclosed
WO-1991012797-A1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALF SCIENCES UNIVERSITY (US) 1991-09-05 WO disclosed
US-4906779-A N,N'-disubstituted guanidines and their use as excitatory amino acid antagonists STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1990-03-06 US disclosed
US-4906779-A N,N'-disubstituted guanidines and their use as excitatory amino acid antagonists STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1990-03-06 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 (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-20050031651-A1 Administering a combination of an agent that treats an amyloid-P disease, neurodegeneration, or cellular toxicity; and said second agent is a therapeutic drug or nutritive supplement APP, IAPP, PSEN1 SIGMAR1 3090/4885MAPT 5/4885GRIN2D 2584/4885
US-20030027801-A1 Methods of treatment of eye trauma and disorders RBP4, ALDH1A2, RBP1 SIGMAR1 3775/4885MAPT 2121/4885GRIN2D 3242/4885

“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.