SCHEMBL12618366

SCHEMBL12618366

COc1c(Br)cc(/C=C2\C(=O)Nc3ccc(I)cc32)cc1Br

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.72
MAP1LC3B Q9GZQ8 3/20 0.72
PLK4 O00444 3/20 0.72
MAPT P10636 3/20 0.72
EGFR P00533 2/20 0.72
PLK1 P53350 2/20 0.72
NTRK1 P04629 1/20 0.72
ARAF P10398 1/20 0.72
PIM1 P11309 1/20 0.72
BRAF P15056 1/20 0.72
CSNK2A1 P68400 1/20 0.72
PIM3 Q86V86 1/20 0.72
SIRT2 Q8IXJ6 1/20 0.72
SIRT1 Q96EB6 1/20 0.72
MYOC Q99972 1/20 0.72
DYRK4 Q9NR20 1/20 0.72
SIRT3 Q9NTG7 1/20 0.72
SIRT5 Q9NXA8 1/20 0.72
MAP3K20 Q9NYL2 1/20 0.72
PIM2 Q9P1W9 1/20 0.72

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
SCHEMBL5365564 0.90 ERBB2 (0.78) RAF1MAP1LC3BPLK4MAPTEGFR
SCHEMBL19392080 0.86 PLK4 (0.73) RAF1MAP1LC3BPLK4MAPTEGFR
SCHEMBL10026597 0.86 RAF1 (0.77) RAF1MAP1LC3BPLK4MAPTEGFR
SCHEMBL26245253 0.86 RAF1 (0.77) RAF1MAP1LC3BPLK4MAPTEGFR
SCHEMBL1394784 0.85 RAF1 (0.79) RAF1MAP1LC3BPLK4MAPTEGFR
SCHEMBL4726411 0.85 RAF1 (0.79) RAF1MAP1LC3BPLK4MAPTEGFR
SCHEMBL29022186 0.84 RAF1 (0.67) RAF1MAP1LC3BPLK4MAPTEGFR
SCHEMBL5368858 0.84 MAPT (0.62) RAF1MAP1LC3BPLK4MAPTEGFR
Gw305074X SCHEMBL29389948 0.84 RAF1 (1.00) RAF1MAP1LC3BPLK4MAPTEGFR
Gw305074X SCHEMBL12199472 0.84 RAF1 (1.00) RAF1MAP1LC3BPLK4MAPTEGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110110891-A1 Methods of Treating Hepatitis C Virus Infection NIH-DEITR 2011-05-12 US disclosed
US-20110110891-A1 Methods of Treating Hepatitis C Virus Infection NIH-DEITR 2011-05-12 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-20110110891-A1 Methods of Treating Hepatitis C Virus Infection HAVCR2, HCCS, HDGF RAF1 15/4885MAP1LC3B 3255/4885PLK4 3041/4885

“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.