SCHEMBL5454834

SCHEMBL5454834

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
BRAF P15056 6/20 0.37
KDR P35968 5/20 0.37
RAF1 P04049 5/20 0.37
TEK Q02763 4/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGES O14684 2/20 0.36
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 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
SCHEMBL5456410 0.91 MAPT (0.39) MAPTKDM4EBRAFKDRRAF1
SCHEMBL5796233 0.88 BRAF (0.36) MAPTKDM4EBRAFKDRRAF1
SCHEMBL5444078 0.79 PTGES (0.41) MAPTKDM4EBRAFKDRRAF1
SCHEMBL5796495 0.74 PTGES (0.41) BRAFKDRRAF1SMN1; SMN2PTGES
SCHEMBL5452321 0.73 ALDH1A1 (0.40) MAPTKDM4EBRAFKDRRAF1
SCHEMBL5450821 0.72 KDR (0.41) BRAFKDRRAF1EGFRERBB2
SCHEMBL14521447 0.71 POLB (0.41) MAPTKDM4EKDRALDH1A1HTT
SCHEMBL5453152 0.71 KDM4E (0.46) MAPTKDM4EBRAFKDRRAF1
SCHEMBL5899247 0.71 KDR (0.55) BRAFKDRRAF1TEK
SCHEMBL5450095 0.70 KDR (0.44) MAPTBRAFKDRRAF1TEK

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.