SCHEMBL8203532

SCHEMBL8203532

Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.88
HTT P42858 2/20 0.88
ALDH1A1 P00352 2/20 0.88
POLB P06746 1/20 0.88
KMT2A Q03164 5/20 0.79
MEN1 O00255 3/20 0.79
GAA P10253 2/20 0.76
LMNA P02545 2/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
TSHR P16473 1/20 0.72
CYP2C19 P33261 1/20 0.72
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67

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
SCHEMBL3303527 1.00 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL699639 1.00 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL4537086 1.00 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL8200466 1.00 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL565301 1.00 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL3971438 1.00 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL10724066 1.00 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL8502340 0.94 PKM (1.00) PKMHTTALDH1A1POLBKMT2A
SCHEMBL8583228 0.94 PKM (1.00) PKMHTTALDH1A1POLBKMT2A
SCHEMBL7953663 0.94 PKM (1.00) PKMHTTALDH1A1POLBKMT2A

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-20170210714-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-07-27 US disclosed
US-20170210714-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-07-27 US disclosed
WO-2016016272-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2016-02-04 WO 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-0888115-A1 IRON COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1999-01-07 EP 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
WO-1997033588-A9 IRON COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE 1997-11-06 WO disclosed
WO-1997033588-A1 IRON COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1997-09-18 WO 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-0756495-A1 DIAGNOSTIC IMAGE ANALYSIS WITH METAL COMPLEXES MONSANTO COMPANY (US) 1997-02-05 EP disclosed
WO-1995028968-A1 DIAGNOSTIC IMAGE ANALYSIS WITH METAL COMPLEXES MONSANTO COMPANY (US) 1995-11-02 WO 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-20170210714-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS MPI, PAICS, TFEB PKM 358/4885HTT 817/4885ALDH1A1 1961/4885

“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.