SCHEMBL829647

SCHEMBL829647

CCOC(=O)c1[nH]c2ccc(OCc3ccccc3)cc2c1I

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.64
GABRG2 P18507 4/20 0.64
GABRB3 P28472 4/20 0.64
GABRA5 P31644 4/20 0.64
GABRA3 P34903 4/20 0.64
GABRA2 P47869 4/20 0.64
ALDH1A1 P00352 6/20 0.57
MAPT P10636 5/20 0.57
HPGD P15428 5/20 0.57
GABRP O00591 1/20 0.57
GABRD O14764 1/20 0.57
GABRB1 P18505 1/20 0.57
GABRB2 P47870 1/20 0.57
GABRA4 P48169 1/20 0.57
GABRE P78334 1/20 0.57
GABRA6 Q16445 1/20 0.57
GABRG1 Q8N1C3 1/20 0.57
GABRG3 Q99928 1/20 0.57
GABRQ Q9UN88 1/20 0.57
KDM4E B2RXH2 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
SCHEMBL25904024 0.89 ALDH1A1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2203795 0.87 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2730788 0.86 KDM4E (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6595921 0.86 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8540181 0.86 ALDH1A1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL862355 0.84 ALDH1A1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1345949 0.82 ALDH1A1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13309192 0.82 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28497681 0.82 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1344093 0.81 ALDH1A1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2197884-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP 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
US-20080249091-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-10-09 US disclosed
EP-1844013-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-17 EP disclosed
WO-2006077364-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 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 (3 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 GABRA1 2809/4885GABRG2 3809/4885GABRB3 2957/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 GABRA1 4029/4885GABRG2 4196/4885GABRB3 3107/4885
US-20080249091-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, ARG1 GABRA1 2807/4885GABRG2 1436/4885GABRB3 2450/4885

“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.