SCHEMBL832928

SCHEMBL832928

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
PKM P14618 4/20 0.44
LMNA P02545 4/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PDE4A P27815 6/20 0.44
PDE4B Q07343 6/20 0.44
PDE4C Q08493 6/20 0.44
PDE4D Q08499 6/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE1A P54750 5/20 0.43
PDE1B Q01064 5/20 0.43
PDE1C Q14123 5/20 0.43
KMT2A Q03164 3/20 0.40

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
SCHEMBL832909 0.92 PDE4A (0.43) MAPTPKMLMNAGAAKDM4E
SCHEMBL831838 0.91 PDE4A (0.42) MAPTPKMLMNAGAAKDM4E
SCHEMBL832152 0.86 GABRA1 (0.42) MAPTLMNAKDM4EPDE4APDE4B
SCHEMBL829184 0.86 MKNK2 (0.43) MAPTPKMLMNAGAAKDM4E
SCHEMBL832053 0.83 PKM (0.44) MAPTPKMLMNAGAAKDM4E
SCHEMBL832805 0.83 PKM (0.44) MAPTPKMLMNAGAAKDM4E
SCHEMBL12624448 0.82 PTGDR2 (0.43) PDE4APDE4BPDE4CPDE4DBLM
SCHEMBL832301 0.81 PTGDR2 (0.42) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL832108 0.79 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DBLM
SCHEMBL830573 0.78 KMT2A (0.51) MAPTLMNAGAAKDM4ENPSR1

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 3 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-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 (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 MAPT 424/4885PKM 4410/4885LMNA 2851/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 MAPT 1047/4885PKM 4206/4885LMNA 3804/4885

“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.