SCHEMBL829516

SCHEMBL829516

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.55
KDM4E B2RXH2 10/20 0.55
MAPT P10636 6/20 0.55
GAA P10253 4/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
TP53 P04637 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 9/20 0.49
CYP1A2 P05177 1/20 0.49
XBP1 P17861 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 1/20 0.47
HSD17B10 Q99714 6/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.43
TUBB4A P04350 2/20 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
SCHEMBL828877 0.91 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL829884 0.91 GAA (0.49) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL383862 0.90 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL12890683 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL388750 0.90 MEN1 (0.48) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL862239 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL832595 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL832372 0.86 KDM4E (0.42) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL386125 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL830781 0.85 GABRA1 (0.55) ALDH1A1KDM4EMAPTGAARAB9A

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 15 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-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-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
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

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 ALDH1A1 2482/4885KDM4E 2071/4885MAPT 424/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 ALDH1A1 1792/4885KDM4E 1061/4885MAPT 1047/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT ALDH1A1 800/4885KDM4E 1111/4885MAPT 1061/4885

“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.