SCHEMBL832590

SCHEMBL832590

COC(=O)/C(C)=N\Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
EPHX1 P07099 2/20 0.46
EPHX2 P34913 2/20 0.46
NPC1 O15118 5/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
CYP3A4 P08684 2/20 0.44
APEX1 P27695 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL6141981 0.85 POLB (0.54) POLBNPC1MAPTRAB9AHTT
SCHEMBL16855424 0.85 POLB (0.54) POLBNPC1MAPTRAB9AHTT
SCHEMBL6141984 0.85 POLB (0.54) POLBNPC1MAPTRAB9AHTT
SCHEMBL31623401 0.83 POLB (0.46) POLBNPC1MAPTRAB9AHTT
SCHEMBL1550591 0.77 POLB (0.65) POLBEPHX1EPHX2NPC1MAPT
SCHEMBL1550590 0.77 POLB (0.65) POLBEPHX1EPHX2NPC1MAPT
SCHEMBL8328486 0.77 PDK1 (0.43) POLBNPC1MAPTRAB9AMEN1
SCHEMBL23554205 0.75 FADS1 (0.43) POLBNPC1MAPTRAB9AHTT
SCHEMBL11765704 0.75 POLB (0.55) POLBEPHX1EPHX2NPC1MAPT
SCHEMBL13901605 0.75 POLB (0.55) POLBEPHX1EPHX2NPC1MAPT

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-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 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 (1 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 POLB 3788/4885EPHX1 3596/4885EPHX2 3119/4885

“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.