Sugi Predict

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SCHEMBL832909

SCHEMBL832909

CCOC(=O)c1c(-c2cccnc2OC)c2cc(C)ccc2n1Cc1ccnc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 6/20 0.43
▸ PDE4B Q07343 6/20 0.43
▸ PDE4C Q08493 6/20 0.43
▸ PDE4D Q08499 6/20 0.43
▸ BLM P54132 2/20 0.43
▸ PMP22 Q01453 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ PDE1A P54750 5/20 0.42
▸ PDE1B Q01064 5/20 0.42
▸ PDE1C Q14123 5/20 0.42
▸ PTGDR2 Q9Y5Y4 4/20 0.39
▸ FAAH O00519 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 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
SCHEMBL832928 0.92 MAPT (0.44) PDE4APDE4BPDE4CPDE4DBLM
SCHEMBL831838 0.92 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DBLM
SCHEMBL12624448 0.90 PTGDR2 (0.43) PDE4APDE4BPDE4CPDE4DBLM
SCHEMBL832152 0.87 GABRA1 (0.42) PDE4APDE4BPDE4CPDE4DBLM
SCHEMBL829047 0.84 KMT2A (0.52) NPSR1PTGDR2KMT2AELANEKDM4E
SCHEMBL832301 0.82 PTGDR2 (0.42) PDE4APDE4BPDE4CPDE4DBLM
SCHEMBL832108 0.80 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DBLM
SCHEMBL830573 0.79 KMT2A (0.51) NPSR1KMT2AKDM4ELMNAGAA
SCHEMBL829184 0.79 MKNK2 (0.43) PDE4APDE4BPDE4CPDE4DBLM
SCHEMBL831263 0.78 MKNK2 (0.46) PDE4APDE4BPDE4CPDE4DBLM

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 4 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

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 PDE4A 3725/4885PDE4B 3868/4885PDE4C 3737/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 PDE4A 2352/4885PDE4B 2356/4885PDE4C 2970/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT PDE4A 2451/4885PDE4B 2518/4885PDE4C 2962/4885

“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.