SCHEMBL4293738

SCHEMBL4293738

FC(F)Oc1ccc(NCC[C@@H]2CN(Cc3ccccc3)CCN2)cc1.O=C(O)C[C@H]1NC(=O)CN(Cc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
PKM P14618 2/20 0.39
GAA P10253 1/20 0.39
LTA4H P09960 1/20 0.38
CHRM4 P08173 1/20 0.38
KMT2A Q03164 1/20 0.36
OPRK1 P41145 3/20 0.35
ITGB3 P05106 2/20 0.33
ITGAV P06756 1/20 0.33
F2 P00734 1/20 0.33
CCR5 P51681 1/20 0.33
MAP2K1 Q02750 1/20 0.33
ITGA2B P08514 1/20 0.32

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
SCHEMBL8123690 0.83 LTA4H (0.52) GAALTA4HCHRM4KMT2A
SCHEMBL4286523 0.78 PKM (0.54) HDAC6HDAC1HDAC8PKMGAA
SCHEMBL4293744 0.77 LTA4H (0.38) HDAC6HDAC1HDAC8LTA4HCHRM4
SCHEMBL4296423 0.77 KMT2A (0.48) LTA4HCHRM4KMT2A
SCHEMBL4431617 0.77 KMT2A (0.48) LTA4HCHRM4KMT2A
SCHEMBL4048096 0.72 LTA4H (0.53) PKMGAALTA4H
SCHEMBL18894019 0.72 HDAC6 (0.62) HDAC6HDAC1HDAC8PKMGAA
SCHEMBL4281521 0.72 HDAC6 (0.62) HDAC6HDAC1HDAC8PKMGAA
SCHEMBL26915184 0.72 HDAC6 (0.62) HDAC6HDAC1HDAC8PKMGAA
SCHEMBL4286722 0.71 PKM (0.52) HDAC6HDAC1HDAC8PKMGAA

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HDAC6 903/4885HDAC1 67/4885HDAC8 168/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HDAC6 903/4885HDAC1 67/4885HDAC8 168/4885

“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.