SCHEMBL29428

SCHEMBL29428

C=CCN(CCCCC)C(N)=S

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA9 Q16790 4/20 0.46
CA2 P00918 3/20 0.46
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 4/20 0.38
ALDH2 P05091 1/20 0.38
ZDHHC20 Q5W0Z9 2/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
TSHR P16473 3/20 0.34
FAAH O00519 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DNM1 Q05193 3/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL5958509 0.85 CA12 (0.46) CA12CA1CA9CA2MGLL
SCHEMBL1101234 0.82 CA12 (0.58) CA12CA1CA9CA2MGLL
SCHEMBL6252070 0.81 GRIN2D (0.41) CA12CA1CA9CA2MGLL
SCHEMBL8393428 0.81 CA12 (0.50) CA12CA1CA9CA2MGLL
SCHEMBL8393427 0.81 CA12 (0.50) CA12CA1CA9CA2MGLL
SCHEMBL29333 0.81 ZDHHC20 (0.45) CA12CA1CA9CA2MGLL
SCHEMBL5980787 0.80 CA12 (0.63) CA12CA1CA9CA2MGLL
SCHEMBL11085445 0.80 ZDHHC20 (0.47) CA12CA1CA9CA2MGLL
SCHEMBL5980795 0.80 CA12 (0.63) CA12CA1CA9CA2MGLL
SCHEMBL17956778 0.80 CA12 (0.61) CA12CA1CA9CA2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026273-A1 THERAPY FOR REDUCED OTOTOXICITY FROM CHEMOTHERAPEUTIC AGENT WITH PENTAAZA MACROCYCLIC RING COMPLEX GALERA LABS, LLC (US) 2024-02-01 WO claimed
US-20230218633-A1 METHODS OF TREATING ORAL MUCOSITIS GALERA LABS, LLC 2023-07-13 US claimed
US-20230158042-A1 COMBINATION CANCER THERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX AND HORMONE THERAPY AGENT BIOSSIL INC. (CA) 2023-05-25 US claimed
US-20230149358-A1 COMBINATION CANCER THERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX AND HORMONE THERAPY AGENT BIOSSIL INC. (CA) 2023-05-18 US claimed
EP-4157242-A1 COMBINATION CANCER THERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX AND HORMONE THERAPY AGENT Galera Labs, LLC (US) 2023-04-05 EP claimed
US-11612608-B2 Methods of treating oral mucositis GALERA LABS, LLC (US) 2023-03-28 US claimed
WO-2023009500-A1 PENTAAZA MACROCYCLIC RING COMPLEX FOR ENHANCED SURGICAL TREATMENT GALERA LABS, LLC (US) 2023-02-02 WO claimed
US-20220227798-A1 MANUFACTURE METHOD FOR AQUEOUS FORMULATION OF MANGANESE-CONTAINING COORDINATION COMPLEX, FORMULATION, AND METHOD OF TREATMENT GALERA LABS, LLC 2022-07-21 US claimed
US-20220118119-A1 COMBINATION CANCER IMMUNOTHERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX BIOSSIL INC. (CA) 2022-04-21 US claimed
US-20210361701-A1 PENTAAZA MACROCYCLIC RING COMPLEXES FOR LOCAL DELIVERY GALERA LABS, LLC 2021-11-25 US claimed
US-5610293-A TREATMENT OF INFLAMMATORY DISEASES, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHERSCLEROSIS, HYPERTENSION MONSANTO COMPANY (US) 1997-03-11 US claimed
WO-1997006824-A2 BIOCONJUGATES OF MANGANESE COMPLEXES AND THEIR APPLICATION AS CATALYSTS MONSANTO COMPANY (US) 1997-02-27 WO claimed
EP-0758892-A1 METHODS OF USE FOR PEROXYNITRITE DECOMPOSITION CATALYSTS, PHARMACEUTICAL COMPOSITIONS THEREFOR MONSANTO COMPANY (US) 1997-02-26 EP claimed
EP-0756495-A1 DIAGNOSTIC IMAGE ANALYSIS WITH METAL COMPLEXES MONSANTO COMPANY (US) 1997-02-05 EP claimed
WO-1996040658-A1 PROCESS FOR PREPARING SUBSTITUTED POLYAZAMACROCYCLES MONSANTO COMPANY (US) 1996-12-19 WO claimed
WO-1996039396-A1 MANGANESE OR IRON COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1996-12-12 WO claimed
JP-H08505622-A 1996-06-18 JP claimed
WO-1995031197-A1 METHODS OF USE FOR PEROXYNITRITE DECOMPOSITION CATALYSTS, PHARMACEUTICAL COMPOSITIONS THEREFOR MONSANTO COMPANY (US) 1995-11-23 WO claimed
WO-1995028968-A1 DIAGNOSTIC IMAGE ANALYSIS WITH METAL COMPLEXES MONSANTO COMPANY (US) 1995-11-02 WO claimed
WO-1994015925-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1994-07-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20210361701-A1 PENTAAZA MACROCYCLIC RING COMPLEXES FOR LOCAL DELIVERY SI, APC, VIP CA12 754/4885CA1 2022/4885CA9 2952/4885
US-20230158042-A1 COMBINATION CANCER THERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX AND HORMONE THERAPY AGENT MC2R, GHRHR, GNRHR CA12 308/4885CA1 834/4885CA9 774/4885
US-20230149358-A1 COMBINATION CANCER THERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX AND HORMONE THERAPY AGENT HDAC1, HDAC8, SIRT3 CA12 49/4885CA1 192/4885CA9 487/4885
US-20220227798-A1 MANUFACTURE METHOD FOR AQUEOUS FORMULATION OF MANGANESE-CONTAINING COORDINATION COMPLEX, FORMULATION, AND METHOD OF TREATMENT SOD1, MSH6, SLC30A6 CA12 131/4885CA1 159/4885CA9 123/4885
US-20230218633-A1 METHODS OF TREATING ORAL MUCOSITIS LPO, SOD3, MPO CA12 497/4885CA1 1182/4885CA9 1260/4885
US-11612608-B2 Methods of treating oral mucositis LPO, SOD3, MPO CA12 497/4885CA1 1182/4885CA9 1260/4885
US-20220118119-A1 COMBINATION CANCER IMMUNOTHERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX CD274, PDCD1, PDCD1LG2 CA12 453/4885CA1 1382/4885CA9 477/4885

“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.