Sugi Predict

Sugi Predict / Compounds / SCHEMBL832829

SCHEMBL832829

SCHEMBL832829

CCOC(=O)c1c(-c2cccnc2OC)c2cc(C3CC3C)ccc2n1Cc1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ EED O75530 2/20 0.35
▸ SUZ12 Q15022 2/20 0.35
▸ EZH2 Q15910 2/20 0.35
▸ GRM7 Q14831 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 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
SCHEMBL832839 1.00 KMT2A (0.38) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL3689437 1.00 KMT2A (0.38) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL832534 0.94 KMT2A (0.38) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL388003 0.94 KMT2A (0.38) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL832012 0.94 KMT2A (0.38) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL12624289 0.91 HTR2A (0.36) HTR2AHTR2CHTR2BPPARGPTGDR2
SCHEMBL832329 0.91 HTR2A (0.36) HTR2AHTR2CHTR2BPPARGPTGDR2
SCHEMBL832053 0.87 PKM (0.44) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL832410 0.86 EDNRB (0.44) KMT2AMEN1EEDSUZ12EZH2
SCHEMBL12890680 0.86 KMT2A (0.41) KMT2AMEN1EEDSUZ12EZH2

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 KMT2A 1322/4885MEN1 1177/4885EED 986/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 KMT2A 321/4885MEN1 2084/4885EED 1288/4885

“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.