SCHEMBL2321110

SCHEMBL2321110

N=C(N)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
CCR6 P51684 1/20 0.44
PAX8 Q06710 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL10666425 1.00 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL23777377 0.89 KMT2A (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL6252907 0.86 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL3254015 0.83 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8419163 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL3666065 0.82 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL11161796 0.81 ALDH1A1 (0.45) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7346584 0.81 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL6376086 0.80 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL3999872 0.80 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 US claimed
EP-0190058-B1 PEPTIDE DERIVATIVES WITH A POLYCYCLIC NITROGEN STRUCTURE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR (FR) 1987-12-23 EP claimed
EP-0190058-A1 Peptide derivatives with a polycyclic nitrogen structure, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1986-08-06 EP claimed
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 US disclosed
EP-1808440-B1 Non-covalent inhibitors of urokinase and blood vessel formation WILEX AG (DE) 2011-07-27 EP disclosed
EP-1808440-A1 Non-covalent inhibitors of urokinase and blood vessel formation Wilex AG (DE) 2007-07-18 EP disclosed
EP-1182207-B1 Non-covalent inhibitors of urokinase and blood vessel formation DENDREON CORP (US) 2007-04-18 EP disclosed
EP-1575912-A1 VARIOUSLY SUBSTITUTED DERIVATIVES OF GUANIDINE, AND THEIR USE AS MEDICINES WITH ANTI-DIABETES AND/OR ANTI-OBESITY ACTIVITY SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2005-09-21 EP disclosed
WO-2004054967-A1 VARIOUSLY SUBSTITUTED DERIVATIVES OF GUANIDINE, AND THEIR USE AS MEDICINES WITH ANTI-DIABETES AND/OR ANTI-OBESITY ACTIVITY SIGMA TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-07-01 WO disclosed
US-6586405-B2 Therapy for blood disorders CORVAS INTERNATIONAL, INC. 2003-07-01 US disclosed
US-20020037857-A1 Non-covalent inhibitors of urokinase and blood vessel formation CORVAS INTERNATIONAL, INC. 2002-03-28 US disclosed
EP-1182207-A2 Non-covalent inhibitors of urokinase and blood vessel formation CORVAS INTERNATIONAL, INC. (US) 2002-02-27 EP disclosed
WO-2002014349-A2 NON-COVALENT INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2002-02-21 WO disclosed
WO-1997011070-A1 SUBSTITUTED CYCLOHEXYLAMINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-03-27 WO disclosed
US-4720484-A Peptide compounds having a nitrogenous polycyclic structure ADIR S.A.R.L. (FR) 1988-01-19 US 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 (2 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-20020037857-A1 Non-covalent inhibitors of urokinase and blood vessel formation PLAU, PLAT, PLG ALDH1A1 2751/4885TDP1 936/4885MAPK1 1905/4885
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT PEPD, DNPEP, DPP7 ALDH1A1 4580/4885TDP1 3276/4885MAPK1 1218/4885

“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.