SCHEMBL501173

SCHEMBL501173

N=C(NN)N(N)CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
KDM5C P41229 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL27885856 0.76 KDM4E (0.37) KDM4EKDM5CPHF8KDM2ATDP1
SCHEMBL14510764 0.74 TDP1 (0.31) KDM4ETDP1EYA2APPACE
SCHEMBL8199567 0.73
Bromide SCHEMBL7533244 0.71 TDP1 (0.36) KDM4ETDP1EYA2APPACE
Bicarbonate SCHEMBL5014541 0.70 CYP1A2 (0.33) LMNATSHR
Nitrilotriacetic Acid SCHEMBL508415 0.70 TDP1 (0.46) KDM4EKDM5CPHF8KDM2ATDP1
SCHEMBL7713378 0.69
SCHEMBL8617978 0.69 NOS3 (0.44) ALOX15BLMPMP22
SCHEMBL2953649 0.69
SCHEMBL8043996 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793646-B1 AMINOGUANIDINE CARBOXYLATES FOR THE TREATMENT OF NON-INSULIN-DEPENDENT DIABETES MELLITUS UPJOHN CO (US) 2001-09-05 EP claimed
US-5994577-A Aminoguanidine carboxylates for the treatment of non-insulin-dependent diabetes mellitus PHARMACIA & UPJOHN COMPANY 1999-11-30 US claimed
EP-0793646-A1 AMINOGUANIDINE CARBOXYLATES FOR THE TREATMENT OF NON-INSULIN-DEPENDENT DIABETES MELLITUS PHARMACIA & UPJOHN COMPANY (US) 1997-09-10 EP claimed
WO-1996016031-A1 AMINOGUANIDINE CARBOXYLATES FOR THE TREATMENT OF NON-INSULIN-DEPENDENT DIABETES MELLITUS PHARMACIA & UPJOHN COMPANY (US) 1996-05-30 WO claimed
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 US disclosed
WO-2023004308-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2023-01-26 WO disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
US-11007162-B2 Methods of reducing small, dense LDL particles CYMABAY THERAPEUTICS, INC. (US) 2021-05-18 US disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-6288124-B1 Methods of inhibiting undesirable cell growth using an aminoguanidine compound KADDURAH-DAOUK RIMA (US) 2001-09-11 US disclosed
EP-0793646-B1 AMINOGUANIDINE CARBOXYLATES FOR THE TREATMENT OF NON-INSULIN-DEPENDENT DIABETES MELLITUS UPJOHN CO (US) 2001-09-05 EP disclosed
US-6169115-B1 SUBSTRATES OR SUBSTRATE ANALOGS FOR CREATINE KINASE; KADDURAH-DAOUK RIMA (US) 2001-01-02 US disclosed
US-6166080-A Aminoquanidine carboxylates for the treatment of obesity PHARMACIA (US) 2000-12-26 US disclosed
EP-1001758-A1 USE OF A DRUG CAPABLE OF MODULATING THE REGULATION OF UPC-2 AND METHOD FOR SCREENING FOR POTENTIAL DRUGS AGAINST OBESITY Pharmacia & Upjohn AB (SE) 2000-05-24 EP disclosed
US-6001578-A DEVELOPING POTENTIAL DRUGS FOR TREATING OBESITY, METABOLIC SYNDROME OR NON-INSULIN DEPENDENT DIABETES MELLITUS; CONTACTING CELLS EXPRESSING FAT PROTEIN WITH MODULATING DRUG, CULTURING CELLS, DETECTING GENE EXPRESSION INDICATORS PHARMACIA & UPJOHN AB (SE) 1999-12-14 US disclosed
WO-1999000123-A1 USE OF A DRUG CAPABLE OF MODULATING THE REGULATION OF UPC-2 AND METHOD FOR SCREENING FOR POTENTIAL DRUGS AGAINST OBESITY PHARMACIA & UPJOHN AB (SE) 1999-01-07 WO disclosed
CN-1164226-A Aminoguanidine carboxylates for the treatment of non-insulin dependent diabetes mellitus UPJOHN CO (US) 1997-11-05 CN 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 (3 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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 KDM4E 3385/4885KDM5C 3250/4885PHF8 4283/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 KDM4E 1519/4885KDM5C 2304/4885PHF8 3181/4885
US-11007162-B2 Methods of reducing small, dense LDL particles LDLR, APOB, HDLBP KDM4E 2996/4885KDM5C 3148/4885PHF8 3505/4885

“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.