SCHEMBL830781

SCHEMBL830781

CCOC(=O)c1[nH]c2ccc(C#C[Si](C)(C)C)cc2c1-c1cccnc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.55
GABRA5 P31644 4/20 0.55
GABRG2 P18507 3/20 0.55
GABRB3 P28472 3/20 0.55
GABRA3 P34903 3/20 0.55
GABRA2 P47869 3/20 0.55
GABRA4 P48169 2/20 0.55
GABRA6 Q16445 2/20 0.55
ALDH1A1 P00352 9/20 0.43
HPGD P15428 6/20 0.43
CYP1A2 P05177 1/20 0.43
XBP1 P17861 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 7/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TUBB4A P04350 4/20 0.39
TUBB P07437 4/20 0.39
TUBA3C P0DPH7 4/20 0.39

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
SCHEMBL829516 0.85 ALDH1A1 (0.55) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL829884 0.84 GAA (0.49) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL828877 0.84 ALDH1A1 (0.48) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL388750 0.83 MEN1 (0.48) GABRA1GABRA3ALDH1A1HPGDCYP1A2
SCHEMBL12890683 0.83 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL383862 0.83 ALDH1A1 (0.64) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL832047 0.81 ALDH1A1 (0.48) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL862239 0.80 ALDH1A1 (0.52) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL832595 0.80 ALDH1A1 (0.48) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL386125 0.80 ALDH1A1 (0.51) ALDH1A1HPGDCYP1A2XBP1CYP2C19

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 9 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-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-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
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 GABRA1 4029/4885GABRA5 3618/4885GABRG2 4196/4885

“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.