SCHEMBL4281607

SCHEMBL4281607

O=C(C[C@H]1NC(=O)CN(Cc2ccccc2)C1=O)Nc1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
HDAC6 Q9UBN7 3/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
POLB P06746 2/20 0.49
RAB9A P51151 1/20 0.49
PKM P14618 3/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EEF2K O00418 1/20 0.46
OPRK1 P41145 2/20 0.44
HSD17B10 Q99714 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL4284778 0.89 MEN1 (0.56) KMT2AGAAALDH1A1MEN1HDAC6
SCHEMBL4284045 0.86 GAA (0.60) KMT2AGAAALDH1A1MEN1HDAC6
SCHEMBL4287881 0.85 PKM (0.57) KMT2AGAAALDH1A1MEN1HDAC6
SCHEMBL4281530 0.85 GAA (0.56) KMT2AGAAALDH1A1MEN1HDAC6
SCHEMBL4292207 0.82 PKM (0.69) KMT2AGAAALDH1A1MEN1HDAC6
SCHEMBL4288914 0.82 HDAC6 (0.53) GAAALDH1A1HDAC6HDAC1HDAC8
SCHEMBL4289617 0.81 OPRK1 (0.57) KMT2AGAAALDH1A1MEN1HDAC6
SCHEMBL4295695 0.81 HDAC6 (0.51) KMT2AGAAALDH1A1MEN1HDAC6
SCHEMBL4281606 0.80 PKM (0.54) KMT2AGAAMEN1HDAC6HDAC1
SCHEMBL4282183 0.80 OPRK1 (0.55) KMT2AGAAALDH1A1MEN1HDAC6

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 KMT2A 1049/4885GAA 1381/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KMT2A 1049/4885GAA 1381/4885ALDH1A1 388/4885

“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.