SCHEMBL5456410

SCHEMBL5456410

COC(=O)c1cc2cccc(Oc3ccc(Nc4nc5cc(C(F)(F)F)cc(Br)c5[nH]4)cc3)c2o1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
BRAF P15056 6/20 0.37
TEK Q02763 4/20 0.37
RAF1 P04049 4/20 0.37
KDR P35968 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK14 Q16539 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL5454834 0.91 MAPT (0.39) MAPTKDM4EBRAFTEKRAF1
SCHEMBL5452321 0.80 ALDH1A1 (0.40) MAPTKDM4EBRAFTEKRAF1
SCHEMBL5796233 0.80 BRAF (0.36) MAPTKDM4EBRAFTEKRAF1
SCHEMBL5793120 0.75 PTGES (0.36) BRAFTEKRAF1KDRMAPK14
SCHEMBL5444078 0.74 PTGES (0.41) MAPTKDM4EBRAFRAF1KDR
SCHEMBL5459658 0.72 BRAF (0.38) BRAFRAF1KDR
SCHEMBL5444098 0.71 KDM4E (0.46) MAPTKDM4EBRAFTEKRAF1
SCHEMBL5899247 0.71 KDR (0.55) BRAFTEKRAF1KDR
SCHEMBL14627446 0.69 RAF1 (0.38) BRAFTEKRAF1KDR
SCHEMBL5444075 0.68 KDR (0.41) BRAFTEKRAF1KDRHTT

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-20070021456-A1 Aminobenzimidazole derivatives MERCK PATENT GMBH (DE) 2007-01-25 US claimed
US-20070021456-A1 Aminobenzimidazole derivatives MERCK PATENT GMBH (DE) 2007-01-25 US disclosed
US-20070021456-A1 Aminobenzimidazole derivatives MERCK PATENT GMBH (DE) 2007-01-25 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-20070021456-A1 Aminobenzimidazole derivatives TIE1, KDR, FLT1 MAPT 3152/4885KDM4E 129/4885BRAF 22/4885

“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.