Sugi Predict

Sugi Predict / Compounds / SCHEMBL2887260

SCHEMBL2887260

SCHEMBL2887260

Nc1nn(-c2ccccc2)cc1NC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.57
▸ HDAC2 Q92769 3/20 0.57
▸ LMNA P02545 7/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KDM4E B2RXH2 7/20 0.50
▸ MAPT P10636 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ HTT P42858 4/20 0.48
▸ MITF O75030 1/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.45
▸ AURKA O14965 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ADORA2A P29274 2/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL14312439 0.88 LMNA (0.49) HDAC1HDAC2LMNASMN1; SMN2KDM4E
SCHEMBL4454941 0.86 HDAC1 (0.58) HDAC1HDAC2LMNASMN1; SMN2KDM4E
SCHEMBL4456587 0.86 KDM4E (0.48) HDAC1HDAC2LMNAKDM4EMAPT
SCHEMBL3999180 0.86 PARP1 (0.48) HDAC1HDAC2LMNASMN1; SMN2KDM4E
SCHEMBL4455282 0.86 ADORA3 (0.49) HDAC1HDAC2LMNASMN1; SMN2KDM4E
SCHEMBL14312436 0.84 KDM4E (0.46) HDAC1HDAC2LMNASMN1; SMN2KDM4E
SCHEMBL4454512 0.84 ADORA3 (0.48) HDAC1HDAC2LMNASMN1; SMN2KDM4E
SCHEMBL14312270 0.83 MAPKAPK2 (0.54) SMN1; SMN2KDM4EMAPTALDH1A1GAA
SCHEMBL14312276 0.82 ADORA1 (0.50) HDAC1HDAC2LMNASMN1; SMN2KDM4E
SCHEMBL14312644 0.81 ADORA3 (0.48) KDM4EMAPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 — — EP disclosed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US disclosed
US-8349825-B2 Spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 — — EP disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US disclosed
US-7834026-B2 histone deacetylase inhibitors; antiproliferative; antineoplastic; thioredoxin (TRX)-mediated diseases such as autoimmune, allergy, inflammatory diseases; and neurodegenerative diseases; N-(2-Aminophenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)nicotinamide; hydroxamic acid moiety MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 — — US disclosed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 — — US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 — — US disclosed
US-20090209566-A1 Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-08-20 — — US disclosed
EP-1945617-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS Merck & Co., Inc. (US) 2008-07-23 — — EP disclosed
EP-1896395-A2 MODIFIED MALONATE DERIVATIVES Merck & Co., Inc. (US) 2008-03-12 — — EP disclosed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 — — EP disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 — — WO disclosed
WO-2007061978-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
WO-2007061880-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 — — US disclosed
WO-2007055941-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK & CO., INC. (US) 2007-05-18 — — WO disclosed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 — — WO disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 — — WO 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 (6 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-20100160327-A1 Modified Malonate Derivatives ME2, ME3, ME1 HDAC1 6/4885HDAC2 42/4885LMNA 4219/4885
US-20090209566-A1 Spirocyclic Compounds NR1H2, RORA, NR2E3 HDAC1 12/4885HDAC2 24/4885LMNA 2426/4885
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC2 5/4885LMNA 2232/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 HDAC1 3/4885HDAC2 8/4885LMNA 2144/4885
US-20130131041-A1 SPIROCYCLIC COMPOUNDS BRDT, TXNRD3, HDAC1 HDAC1 3/4885HDAC2 8/4885LMNA 2144/4885
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN HDAC1 4/4885HDAC2 8/4885LMNA 3603/4885

“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.