SCHEMBL5453152

SCHEMBL5453152

CCOC(=O)c1cc2cc(Oc3ccc(Nc4nc5cc(C(F)(F)F)cc(Cl)c5[nH]4)cc3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP13 P45452 4/20 0.44
LGALS8 O00214 2/20 0.43
LGALS3 P17931 2/20 0.43
MMP2 P08253 3/20 0.43
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
XDH P47989 1/20 0.41
KDR P35968 3/20 0.40
TEK Q02763 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL5444098 0.91 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL5807345 0.88 RAF1 (0.42) ALDH1A1HPGDLGALS8LGALS3RAF1
SCHEMBL31287683 0.79 KDM4E (0.66) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL14627466 0.78 RAF1 (0.38) RAF1BRAFSMN1; SMN2KDRTEK
SCHEMBL8869770 0.74 KDM4E (0.62) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL5447398 0.74 PTGES (0.40) RAF1BRAFKDRTEK
SCHEMBL31287769 0.73 KDM4E (0.69) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL5450095 0.73 KDR (0.44) LMNAHTTL3MBTL1RAF1BRAF
SCHEMBL31287713 0.72 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL31287767 0.72 KDM4E (0.70) KDM4EALDH1A1HPGDRAB9ANPC1

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-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

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 KDM4E 129/4885ALDH1A1 1159/4885HPGD 3924/4885

“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.