Sugi Predict

Sugi Predict / Compounds / SCHEMBL832535

SCHEMBL832535

SCHEMBL832535

CCC(=O)N(C(=O)CC)c1ncccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.42
▸ TRIM33 Q9UPN9 1/20 0.42
▸ AGTR1 P30556 1/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ OPRM1 P35372 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL2215225 0.78 TRIM24 (0.42) TRIM24TRIM33AGTR1AGTR2KMT2A
SCHEMBL29954331 0.74 TRIM24 (0.52) TRIM24TRIM33AGTR1AGTR2KMT2A
SCHEMBL12253115 0.74 TRIM24 (0.52) TRIM24TRIM33AGTR1AGTR2KMT2A
SCHEMBL14817464 0.74 TRIM24 (0.41) TRIM24TRIM33AGTR1AGTR2KMT2A
SCHEMBL6668888 0.73 ACP3 (0.37) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL20797705 0.72 TRIM24 (0.42) TRIM24TRIM33AGTR1AGTR2KMT2A
SCHEMBL1353016 0.71 TRIM24 (0.41) TRIM24TRIM33AGTR1AGTR2KMT2A
SCHEMBL4720566 0.69 BRD4 (0.57) TRIM24TRIM33KDM4ENPC1RAB9A
SCHEMBL2211898 0.69 CYP1A2 (0.48) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL871969 0.68 ALDH1A1 (0.51) TRIM24TRIM33NPC1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011569-A1 NOVEL P13K p110 INHIBITORS AND METHODS OF USE THEREOF DREXEL UNIVERSITY 2015-01-08 — — US disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 — — US disclosed
US-8404845-B2 2,3-substituted azaindole derivatives for treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-03-26 — — US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 — — US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 — — 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

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

For each of this compound's patents that has machine-readable text (5 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 TRIM24 106/4885TRIM33 262/4885AGTR1 1757/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 TRIM24 247/4885TRIM33 116/4885AGTR1 1013/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT TRIM24 361/4885TRIM33 304/4885AGTR1 2050/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 TRIM24 150/4885TRIM33 119/4885AGTR1 2893/4885
US-20150011569-A1 NOVEL P13K p110 INHIBITORS AND METHODS OF USE THEREOF PIK3R5, PIK3R4, PIK3CD TRIM24 510/4885TRIM33 410/4885AGTR1 3424/4885

“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.