SCHEMBL829044

SCHEMBL829044

CCOC(=O)c1cc2cc(O[Si](C)(C)C(C)(C)C)ccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 3/20 0.67
HPGD P15428 3/20 0.67
RAB9A P51151 3/20 0.67
NPC1 O15118 2/20 0.67
LMNA P02545 2/20 0.67
HTT P42858 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.61
HSD17B10 Q99714 1/20 0.61
HRH3 Q9Y5N1 1/20 0.57
MEN1 O00255 1/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
MMP13 P45452 8/20 0.56
MMP2 P08253 6/20 0.56
MMP14 P50281 4/20 0.56

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
SCHEMBL32667657 0.86 XDH (0.60) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL31207819 0.86 XDH (0.60) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL3023758 0.85 KDM4E (0.61) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL9263164 0.81 KDM4E (0.80) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL75327 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL384385 0.80 KDM4E (0.74) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL7046019 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL18331905 0.79 ALOX15 (0.53) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL5680973 0.79 KDM4E (0.76) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL8870168 0.78 KDM4E (0.75) KDM4EALDH1A1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614229-B2 Substituted indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
EP-1960401-B1 TRICYCLIC AMIDE DERIVATIVES USEFUL FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
US-7579351-B2 Tricyclic amide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-20090156583-A1 Tricyclic Amide Derivatives NETTEKOVEN MATTHIAS 2009-06-18 US disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
EP-1960401-A1 TRICYCLIC AMIDE DERIVATIVES USEFUL FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
WO-2007065820-A1 TRICYCLIC AMIDE DERIVATIVES USEFUL FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO disclosed
US-20070135416-A1 Tricyclic amide derivatives HOFFMANN-LA ROCHE INC. 2007-06-14 US disclosed
US-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 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 (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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 KDM4E 2071/4885ALDH1A1 2482/4885HPGD 3175/4885
US-20090156583-A1 Tricyclic Amide Derivatives HRH4, HRH3, HCAR1 KDM4E 1795/4885ALDH1A1 784/4885HPGD 953/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 KDM4E 1061/4885ALDH1A1 1792/4885HPGD 2591/4885
US-20070135416-A1 Tricyclic amide derivatives HRH4, HRH3, HCAR1 KDM4E 1795/4885ALDH1A1 784/4885HPGD 953/4885
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD KDM4E 1858/4885ALDH1A1 2691/4885HPGD 442/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT KDM4E 1111/4885ALDH1A1 800/4885HPGD 996/4885

“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.