SCHEMBL8200265

SCHEMBL8200265

c1ccc2c(c1)NCCNCCNCCNCCN2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
GAA P10253 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SIGMAR1 Q99720 3/20 0.37
ADRB1 P08588 2/20 0.37
OPRM1 P35372 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SLC18A3 Q16572 1/20 0.37
KDM1A O60341 1/20 0.36
ALOX15 P16050 2/20 0.36

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
SCHEMBL13495065 1.00 MEN1 (0.48) MEN1GAAKMT2AMAPTKDM4E
SCHEMBL29408147 0.91 GAA (0.54) MEN1GAAKMT2AMAPTKDM4E
SCHEMBL29144954 0.91 GAA (0.54) MEN1GAAKMT2AMAPTKDM4E
SCHEMBL123812 0.91 GAA (0.54) MEN1GAAKMT2AMAPTKDM4E
SCHEMBL17758260 0.88 GAA (0.52) MEN1GAAKMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL7829799 0.88 GAA (0.52) MEN1GAAKMT2AMAPTKDM4E
Ammonia Solution, Strong SCHEMBL28409962 0.88 GAA (0.52) MEN1GAAKMT2AMAPTKDM4E
SCHEMBL17758261 0.88 GAA (0.52) MEN1GAAKMT2AMAPTKDM4E
SCHEMBL31037172 0.87 CXCR4 (0.45) MEN1GAAKMT2AMAPTKDM4E
SCHEMBL30191205 0.85 CXCR4 (0.43) MEN1GAAKMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006083508-A2 COMBINATIONS OF SUPEROXIDE DISMUTASE MIMETICS AND NONSTEROIDAL ANALGESIC/ANTI-INFLAMMATORY DRUGS METAPHORE PHARMACEUTICALS INC. (US) 2006-08-10 WO disclosed
US-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease METAPHORE PHARMACEUTICALS, INC. 2005-08-04 US disclosed
US-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease METAPHORE PHARMACEUTICALS, INC. 2005-08-04 US disclosed
US-6084093-A SUBSTITUTED 1,4,7,10,13-PENTAAZACYCLOPENTADECANE MACROCYCLIC LIGANDS; MANGANESE COMPLEXES OF THE LIGAND ARE MIMICS OF SUPEROXIDE DISMUTASE; USEFUL AS THERAPEUTIC AGENTS FOR INFLAMMATORY DISEASES G. D. SEARLE & CO. (US) 2000-07-04 US disclosed
US-5874421-A Manganese complexes of nitrogen-containing macrocyclic ligands effective as catalysts for dismutating superoxide G. D. SEARLE & CO. (US) 1999-02-23 US disclosed
EP-0598753-B1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO CO (US) 1998-03-18 EP disclosed
US-5637578-A AGENTS FOR INFLAMMATION, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHEROSCLEROSIS, AND HYPERTENSION MONSANTO COMPANY 1997-06-10 US disclosed
US-5610293-A TREATMENT OF INFLAMMATORY DISEASES, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHERSCLEROSIS, HYPERTENSION MONSANTO COMPANY (US) 1997-03-11 US disclosed
EP-0598753-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1994-06-01 EP disclosed
WO-1993002090-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1993-02-04 WO disclosed
EP-0524161-A1 Manganese complexes of nitrogen containing macrocyclic ligands effective as catalysts for dismutating superoxide MONSANTO COMPANY (US) 1993-01-20 EP 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-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease SOD1, MPO, SOD3 MEN1 3557/4885GAA 478/4885KMT2A 3162/4885

“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.