SCHEMBL1758610

SCHEMBL1758610

COc1ccc(OC)c(N[C]=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
GAA P10253 4/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 4/20 0.53
LMNA P02545 3/20 0.53
USP2 O75604 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.53
NPSR1 Q6W5P4 4/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 5/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 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
SCHEMBL2203557 0.85 ALDH1A1 (0.56) GAAMAPTLMNANPSR1CA12
SCHEMBL5465233 0.81 GAA (0.44) KMT2AGAAMAPTMEN1LMNA
SCHEMBL1758833 0.81 ACHE (0.50) KMT2AGAAMAPTMEN1LMNA
SCHEMBL1758545 0.80 KMT2A (0.57) KMT2AMAPTMEN1LMNAL3MBTL1
SCHEMBL1188763 0.80 RAB9A (0.42) KMT2AGAAMAPTMEN1LMNA
SCHEMBL7528839 0.78 GAA (0.53) KMT2AGAAMEN1CA12CA1
SCHEMBL5470225 0.77 HTT (0.49) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL28014622 0.77 KMT2A (0.49) KMT2AGAAMAPTMEN1LMNA
SCHEMBL2095306 0.76 RAB9A (0.44) KMT2AGAAMAPTMEN1L3MBTL1
SCHEMBL1576523 0.76 GAA (0.59) KMT2AGAAMAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008017840-A1 CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES MERLION PHARMACEUTICALS SA (CH) 2008-02-14 WO claimed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US claimed
US-6569851-B1 Treating Alzheimer's disease ELAN PHARMACEUTIALS, INC. 2003-05-27 US claimed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP claimed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-2493886-B1 HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES BAYER CROPSCIENCE AG (DE) 2014-11-26 EP disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 US disclosed
EP-2493886-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
WO-2011051244-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP disclosed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US disclosed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP 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-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 KMT2A 671/4885GAA 533/4885MAPT 2992/4885
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA KMT2A 3044/4885GAA 254/4885MAPT 4450/4885

“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.