SCHEMBL5459601

SCHEMBL5459601

FC(F)(F)c1cc(Cl)c2[nH]c(Nc3ccccc3Oc3ccc4c(c3)OCCO4)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
BRAF P15056 3/20 0.33
RAF1 P04049 2/20 0.33
KDR P35968 2/20 0.33
MAPT P10636 4/20 0.32
TP53 P04637 3/20 0.32
LMNA P02545 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
GAA P10253 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FFAR1 O14842 1/20 0.31
BRS3 P32247 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL5450095 0.85 KDR (0.44) BRAFRAF1KDRMAPTLMNA
SCHEMBL5458915 0.82 KDR (0.35) BRAFRAF1KDRMAPTTP53
SCHEMBL5455201 0.80 RIPK1 (0.40) MAPK8MAPK10BRAFRAF1MAPT
SCHEMBL5456279 0.79 MAPK8 (0.37) MAPK8MAPK10BRAFRAF1KDR
SCHEMBL5450937 0.75 NPSR1 (0.35) MAPTTP53LMNANPC1RAB9A
SCHEMBL5450934 0.71 HPGD (0.38) BRAFRAF1KDRMAPTTP53
SCHEMBL5459602 0.71
SCHEMBL5450929 0.70
SCHEMBL5458910 0.70
SCHEMBL5450821 0.70 KDR (0.41) BRAFRAF1KDREGFRERBB2

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 MAPK8 586/4885MAPK10 1231/4885BRAF 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.