Sugi Predict

Sugi Predict / Compounds / SCHEMBL832053

SCHEMBL832053

SCHEMBL832053

CCOC(=O)c1c(-c2cccnc2OC)c2cc(O)ccc2n1Cc1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALOX5 P09917 5/20 0.38
▸ GRM7 Q14831 1/20 0.38
▸ EED O75530 2/20 0.38
▸ SUZ12 Q15022 2/20 0.38
▸ EZH2 Q15910 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL832805 0.93 PKM (0.44) PKMKDM4EMAPTMEN1KMT2A
SCHEMBL832410 0.91 EDNRB (0.44) MAPTMEN1KMT2AGAALMNA
SCHEMBL12890680 0.91 KMT2A (0.41) PKMKDM4EMAPTMEN1KMT2A
SCHEMBL12890682 0.90 KMT2A (0.40) PKMKDM4EMAPTMEN1KMT2A
SCHEMBL832056 0.88 KMT2A (0.41) MAPTMEN1KMT2AGRM7EED
SCHEMBL829212 0.88 GABRA1 (0.42) MEN1KMT2AGRM7EEDSUZ12
SCHEMBL3689437 0.87 KMT2A (0.38) MEN1KMT2AGRM7EEDSUZ12
SCHEMBL832839 0.87 KMT2A (0.38) MEN1KMT2AGRM7EEDSUZ12
SCHEMBL832829 0.87 KMT2A (0.38) MEN1KMT2AGRM7EEDSUZ12
SCHEMBL12338706 0.86 MEN1 (0.38) MEN1KMT2AGRM7EEDSUZ12

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 6 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-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-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

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

For each of this compound's patents that has machine-readable text (2 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 PKM 4410/4885KDM4E 2071/4885MAPT 424/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 PKM 4206/4885KDM4E 1061/4885MAPT 1047/4885

“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.