SCHEMBL6728064

SCHEMBL6728064

CCc1cccc(N(C)C(=N)N(C)c2cccc(SC(F)(F)F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.55
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL7073999 0.86 SIGMAR1 (0.71) SIGMAR1
SCHEMBL7203955 0.86 SIGMAR1 (0.69) SIGMAR1
SCHEMBL6719704 0.84 SIGMAR1 (0.62) SIGMAR1
SCHEMBL6727486 0.83 HDAC3 (0.41) SIGMAR1
SCHEMBL6724486 0.83 SIGMAR1 (0.41) SIGMAR1
SCHEMBL6720958 0.83 SIGMAR1 (0.73) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6719563 0.80 SIGMAR1 (0.48) SIGMAR1
SCHEMBL6728380 0.80 SIGMAR1 (0.59) SIGMAR1
SCHEMBL12300586 0.79 CETP (0.41) SIGMAR1TP53
SCHEMBL6723982 0.78 SIGMAR1 (0.56) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-6242198-B1 ADMINISTERING GUANIDINE COMPOUND CAMBRIDGE NEUROSCIENCE, INC. 2001-06-05 US claimed
US-6013675-A ADMINISTERING TO THE MAMMAL A SUBSTITUTED GUANIDINE COMPOUNDS FOR TREATING THE DISEASE OF NERVOUS SYSTEM IN WHICH PATHOPHYSIOLOGY OF THE DISORDER INVOLVES EXCESSIVE ACTIVATION OF NERVE CELLS BY AGONIST OF METHYL ASPARTATE RECEPTORS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-01-11 US claimed
US-5922772-A PREVENTS OVERACTIVATION OF NMDA TYPE RECEPTORS BY GLUTAMATE; BINDS TO PCP TYPE RECEPTOR, ACTING AS A NONCOMPETITIVE ANTAGONIST, TREATMENT OF ALZHEIMER'S, PARKINSON'S, HUNTINGTON'S DISEASES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-07-13 US claimed
EP-0739200-A4 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-17 EP claimed
EP-0739200-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-10-30 EP claimed
WO-1995014461-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 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-6013675-A ADMINISTERING TO THE MAMMAL A SUBSTITUTED GUANIDINE COMPOUNDS FOR TREATING THE DISEASE OF NERVOUS SYSTEM IN WHICH PATHOPHYSIOLOGY OF THE DISORDER INVOLVES EXCESSIVE ACTIVATION OF NERVE CELLS BY AGONIST OF METHYL ASPARTATE RECEPTORS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-01-11 US disclosed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed
EP-0739200-A4 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-17 EP disclosed
EP-0739200-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-10-30 EP disclosed
WO-1995014461-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 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 3775/4885TP53 4568/4885CYP2D6 4775/4885

“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.