SCHEMBL4984086

SCHEMBL4984086

COc1ccc(N(C)C(=N)N(C)c2ccc(OC)c3ccccc23)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.56
IDO1 P14902 1/20 0.46
EP300 Q09472 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
STAT6 P42226 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CDC25B P30305 2/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
PLK1 P53350 1/20 0.41
TUBB3 Q13509 1/20 0.41
HPGDS O60760 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
SCHEMBL4986749 0.87 SIGMAR1 (0.44) SIGMAR1IDO1EP300KAT8ALDH1A1
Hydrochloric Acid SCHEMBL8711879 0.85 SIGMAR1 (0.46) SIGMAR1IDO1EP300KAT8ALDH1A1
SCHEMBL4979602 0.81 MEN1 (0.44) IDO1EP300KAT8ALDH1A1CYP1A2
SCHEMBL6717057 0.80 SIGMAR1 (0.47) SIGMAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8803077 0.78 IDO1 (0.49) IDO1EP300KAT8ALDH1A1CYP1A2
SCHEMBL8801835 0.76 PLK1 (0.49) IDO1EP300KAT8ALDH1A1CYP1A2
SCHEMBL4979608 0.74 SIGMAR1 (0.55) SIGMAR1IDO1EP300KAT8
SCHEMBL9117418 0.74 SCN2A (0.45) IDO1EP300KAT8ALDH1A1CYP1A2
SCHEMBL419307 0.74 IDO1 (0.73) IDO1EP300KAT8ALDH1A1CDC25B
SCHEMBL29380721 0.74 IDO1 (0.73) IDO1EP300KAT8ALDH1A1CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV SCION PHARMACEUTICALS, INC, A DELAWARE CORPORATION 2007-11-15 US claimed
EP-0751767-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP claimed
EP-0751767-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-01-08 EP claimed
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 WO claimed
US-7351743-B1 Therapeutic guanidines WYETH (US) 2008-04-01 US disclosed
US-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV SCION PHARMACEUTICALS, INC, A DELAWARE CORPORATION 2007-11-15 US disclosed
US-6787569-B1 INHIBITORS OF NEUROTRANSMITTER (E.G., GLUTAMATE) RELEASE FROM ISCHEMIC NEURONAL CELLS; N,N-DISUBSTITUTED GUANIDINES; NEUROLOGICAL CONDITIONS SUCH AS EPILEPSY, NEURODEGENERATIVE CONDITIONS AND/OR NERVE CELL DEATH FROM STROKE OR HEART ATTACK CAMBRIDGE NEUROSCIENCE, INC. 2004-09-07 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-6288123-B1 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCES, INC. 2001-09-11 US disclosed
US-6242198-B1 ADMINISTERING GUANIDINE COMPOUND CAMBRIDGE NEUROSCIENCE, INC. 2001-06-05 US disclosed
US-6174924-B1 Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. 2001-01-16 US disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 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-0751767-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0751767-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-01-08 EP disclosed
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 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-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV GAP43, NLN, HTT SIGMAR1 3253/4885IDO1 2245/4885EP300 1320/4885

“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.