SCHEMBL811047

SCHEMBL811047

O=C(CC(O)C(=O)OCc1ccccc1)OC(=O)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.66
KMT2A Q03164 4/20 0.66
TDP1 Q9NUW8 3/20 0.66
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HDAC1 Q13547 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PLOD2 O00469 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL810936 0.86 KMT2A (0.50) LMNAKMT2ATDP1ALDH1A1KDM4E
Niacin SCHEMBL811046 0.83 LMNA (0.61) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL810761 0.83 ALDH1A1 (0.57) LMNAKMT2ATDP1ALDH1A1KDM4E
Benzyl Nicotinate SCHEMBL29394048 0.80 LMNA (1.00) LMNAKMT2ATDP1SLC6A2SLC6A3
Benzyl Nicotinate SCHEMBL24600 0.80 LMNA (1.00) LMNAKMT2ATDP1SLC6A2SLC6A3
Benzyl Nicotinate SCHEMBL29080664 0.79 LMNA (0.97) LMNAKMT2ATDP1SLC6A2SLC6A3
Benzyl Nicotinate SCHEMBL28041943 0.79 LMNA (0.97) LMNAKMT2ATDP1SLC6A2SLC6A3
Benzyl Nicotinate SCHEMBL30432197 0.77 TDP1 (0.91) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL5456727 0.76 KMT2A (0.62) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL673677 0.76 ALDH1A1 (0.59) LMNAKMT2ATDP1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION UNIV OHIO (US) 2016-08-04 US disclosed
US-9326972-B2 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression OHIO UNIVERSITY (US) 2016-05-03 US disclosed
US-20120238610-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression OHIO UNIVERSITY 2012-09-20 US disclosed
EP-2399578-A1 Methods and compositions for the treatment of autoimmune and inflammatory diseases associated with toll-like receptors The Interthyr Corporation (US) 2011-12-28 EP disclosed
US-20100004304-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER OHIO UNIVERSITY 2010-01-07 US disclosed
EP-1896015-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTORS The Interthyr Corporation (US) 2008-03-12 EP disclosed
WO-2006124676-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTORS THE INTERTHYR CORPORATION (US) 2006-11-23 WO disclosed
US-20060211752-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression BENAVIDES-PERALTA, URUGUAYSITO LORELEY (UY) 2006-09-21 US disclosed
US-20060147508-A1 Concurrent Enhancement of Skin Penetration of Organic Base Active Agents and Organic Hydroxy Acid Active Agents as Their Ion-Pair Complexes BIODERM RESEARCH (US) 2006-07-06 US disclosed
US-20040081672-A1 Niacinamide, niacin, and niacin esters based delivery systems for treating topical disorders of skin and skin aging GUPTA SHYAM K (US) 2004-04-29 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-20060211752-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression TLR3, IRF3, TLR4 LMNA 4799/4885KMT2A 2358/4885TDP1 1417/4885
US-20120238610-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression IRF3, TLR3, TLR4 LMNA 4804/4885KMT2A 2589/4885TDP1 868/4885
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION IRF3, TLR3, TLR4 LMNA 4804/4885KMT2A 2589/4885TDP1 868/4885
US-20100004304-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER STAT3, STAT6, TLR3 LMNA 4674/4885KMT2A 3831/4885TDP1 3839/4885

“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.