Sugi Predict

Sugi Predict / Compounds / SCHEMBL832372

SCHEMBL832372

SCHEMBL832372

COc1ncccc1-c1c(C(=O)OC(C)(C)C)[nH]c2ccc(C)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ GABRA1 P14867 7/20 0.39
▸ GABRG2 P18507 7/20 0.39
▸ GABRB3 P28472 7/20 0.39
▸ GABRA3 P34903 7/20 0.39
▸ GABRA2 P47869 7/20 0.39
▸ GABRA5 P31644 6/20 0.39
▸ GABRA6 Q16445 5/20 0.39
▸ GABRA4 P48169 3/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRB2 P47870 1/20 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
SCHEMBL384056 0.87 GABRA1 (0.43) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL829516 0.86 ALDH1A1 (0.55) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL828877 0.77 ALDH1A1 (0.48) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL829884 0.77 GAA (0.49) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL12890683 0.76 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL383862 0.76 ALDH1A1 (0.64) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL388750 0.76 MEN1 (0.48) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL386125 0.75 ALDH1A1 (0.51) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL14802292 0.75 GABRP (0.44) KDM4EALDH1A1HSD17B10HPGDGABRA1
SCHEMBL832047 0.75 ALDH1A1 (0.48) KDM4EALDH1A1MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 — — US disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF 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 KDM4E 2071/4885ALDH1A1 2482/4885MEN1 1177/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 KDM4E 1061/4885ALDH1A1 1792/4885MEN1 2084/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT KDM4E 1111/4885ALDH1A1 800/4885MEN1 1783/4885

“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.