SCHEMBL2598285

SCHEMBL2598285

O=C(O)C(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
SRC P12931 1/20 0.52
CES1 P23141 2/20 0.52
ALDH1A1 P00352 4/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
CES2 O00748 1/20 0.50
SRD5A2 P31213 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRM8 O00222 1/20 0.47

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
SCHEMBL3540946 0.94 POLB (0.54) TDP1SRCCES1ALDH1A1CA1
SCHEMBL350056 0.90 TSHR (0.53) TDP1CES1ALDH1A1CA1CA2
SCHEMBL9055248 0.89 MAPT (0.53) TDP1CES1ALDH1A1CA1CA2
SCHEMBL11214879 0.83 TDP1 (0.55) TDP1CES1ALDH1A1CA1CA2
SCHEMBL5632968 0.82 MAPT (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5156314 0.82 MEN1 (0.62) TDP1CES1ALDH1A1CA1CA2
SCHEMBL3889135 0.82 MAPT (0.57) TDP1CES1ALDH1A1CA1CA2
SCHEMBL10170602 0.82 MEN1 (0.62) TDP1CES1ALDH1A1CA1CA2
SCHEMBL3749117 0.82 MEN1 (0.62) TDP1CES1ALDH1A1CA1CA2
SCHEMBL6998064 0.81 MEN1 (0.55) TDP1CES1ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103703006-A Hcv protease inhibitors SHANGHAI TANGRUN PHARMACEUTICALS CO LTD 2014-04-02 CN disclosed
US-20130317034-A1 COMBINATION THERAPY FOR TREATING DIABETES JAPAN TOBACCO INC. (JP) 2013-11-28 US disclosed
EP-2571352-A1 SELECTIVE HDAC INHIBITORS Sloan-Kettering Institute for Cancer Research (US) 2013-03-27 EP disclosed
US-20120302636-A1 METHOD OF TREATING A DISORDER ASSOCIATED WITH MTP AKROS PHARMA INC. 2012-11-29 US disclosed
WO-2012049566-A1 COMBINATION THERAPY FOR USE IN TREATING DIABETES JAPAN TOBACCO INC. (JP) 2012-04-19 WO disclosed
WO-2011146855-A1 SELECTIVE HDAC INHIBITORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-11-24 WO disclosed
WO-2010148179-A1 METHOD OF TREATING A DISORDER ASSOCIATED WITH MTP JAPAN TOBACCO INC. (JP) 2010-12-23 WO disclosed
US-7759366-B2 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use SANOFI-AVENTIS (FR) 2010-07-20 US disclosed
US-20090215728-A1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use SANOFI-AVENTIS (FR) 2009-08-27 US disclosed
US-7012146-B2 Ion channel modulating agents POSEIDON PHARMACEUTICALS A/S (DK) 2006-03-14 US disclosed
US-20020169203-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-11-14 US disclosed
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP disclosed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 WO disclosed
US-5324648-A Anticoagulants; antitumor agents GEORGIA TECH RESEARCH CORPORATION (US) 1994-06-28 US disclosed
US-5281721-A Substituted carboxy- or carbonyl sulfide-containing 2-benzopyran or 2-benzothiopyran derivatives GEORGIA TECH RESEARCH CORPORATION (US) 1994-01-25 US disclosed
US-5109018-A Emphysema therapy GEORGIA TECH RESEARCH CORPORATION (US) 1992-04-28 US disclosed
US-4954519-A Isocoumarins with basic substituents as serine proteases inhibitors, anticoagulants and anti-inflammatory agents GEORGIA TECH RESEARCH CORPORATION (US) 1990-09-04 US disclosed
US-4845242-A ANTITUMOR GEORGIA TECH RESEARCH CORPORATION (US) 1989-07-04 US disclosed
US-4596822-A Chromene or thiochromene ring containing enzyme inhibitor GEORGIA TECH RESEARCH CORPORATION (US) 1986-06-24 US disclosed
US-4273773-A IN COMBINATION WITH A DIURETIC AMERICAN HOME PRODUCTS CORPORATION (US) 1981-06-16 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 (4 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-20130317034-A1 COMBINATION THERAPY FOR TREATING DIABETES DPP4, DPP7, DPP3 TDP1 2369/4885SRC 2717/4885CES1 188/4885
US-20090215728-A1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use GPR119, GIPR, LIPC TDP1 3400/4885SRC 2288/4885CES1 33/4885
US-20120302636-A1 METHOD OF TREATING A DISORDER ASSOCIATED WITH MTP MTPN, APOB, HMGCR TDP1 701/4885SRC 4268/4885CES1 222/4885
US-20020169203-A1 Ion channel modulating agents KCNN3, KCNN1, KCNN2 TDP1 4307/4885SRC 1618/4885CES1 3958/4885

“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.