SCHEMBL6728277

SCHEMBL6728277

NC(=Nc1cc(Br)ccc1Br)Nc1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.66
GRIN2D O15399 1/20 0.66
GRIN3B O60391 1/20 0.66
GRIN1 Q05586 1/20 0.66
GRIN2A Q12879 1/20 0.66
GRIN2B Q13224 1/20 0.66
GRIN2C Q14957 1/20 0.66
GRIN3A Q8TCU5 1/20 0.66
GAA P10253 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
CXCR4 P61073 4/20 0.45
PSMD14 O00487 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
Hydrochloric Acid SCHEMBL7208499 0.99 SIGMAR1 (0.64) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6716818 0.84 SIGMAR1 (0.59) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6716940 0.84 SIGMAR1 (0.59) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7203898 0.83 SIGMAR1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7203942 0.83 SIGMAR1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1273875 0.80 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL9438295 0.79 SIGMAR1 (0.97) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720859 0.77 SIGMAR1 (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6716992 0.76 SIGMAR1 (0.69) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6154967 0.75 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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 19 patents. 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
US-6156741-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-12-05 US claimed
US-6153604-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-28 US claimed
US-6147063-A NEUROTOXICITY CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-14 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-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
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-6242198-B1 ADMINISTERING GUANIDINE COMPOUND CAMBRIDGE NEUROSCIENCE, INC. 2001-06-05 US disclosed
US-6156741-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-12-05 US disclosed
US-6153604-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-28 US disclosed
US-6147063-A NEUROTOXICITY CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-14 US disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
EP-0705100-A4 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1996-05-29 EP disclosed
EP-0705100-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-04-10 EP disclosed
WO-1994027591-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1994-12-08 WO 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 (1 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-20030027801-A1 Methods of treatment of eye trauma and disorders RBP4, ALDH1A2, RBP1 SIGMAR1 3775/4885GRIN2D 3242/4885GRIN3B 1756/4885

“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.