SCHEMBL4296423

SCHEMBL4296423

FC(F)Oc1cccc(NCC[C@@H]2CN(Cc3ccccc3)CCN2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
LTA4H P09960 1/20 0.47
CHRM4 P08173 5/20 0.40
KAT2B Q92831 1/20 0.39
GALR2 O43603 1/20 0.38
GALR1 P47211 1/20 0.38
CCR3 P51677 1/20 0.37
PRKAA2 P54646 1/20 0.37
HTT P42858 1/20 0.37
PDE2A O00408 1/20 0.37
DRD4 P21917 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
GRM4 Q14833 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL4431617 1.00 KMT2A (0.48) KMT2ALTA4HCHRM4KAT2BGALR2
SCHEMBL8123690 0.90 LTA4H (0.52) KMT2ALTA4HCHRM4HTTBCHE
SCHEMBL4048096 0.85 LTA4H (0.53) LTA4HDRD4BCHE
SCHEMBL4290142 0.85 LTA4H (0.46) KMT2ALTA4HCHRM4DRD4BCHE
SCHEMBL4287262 0.83 LTA4H (0.47) KMT2ALTA4HDRD4BCHE
SCHEMBL4289743 0.81 LTA4H (0.49) LTA4HDRD4BCHE
SCHEMBL4289616 0.80 LTA4H (0.48) KMT2ALTA4HDRD4BCHE
SCHEMBL4290899 0.78 LTA4H (0.48) LTA4HHTTBCHE
SCHEMBL4293738 0.77 HDAC6 (0.41) KMT2ALTA4HCHRM4
SCHEMBL4284730 0.76 ACHE (0.46) KMT2ALTA4HCHRM4DRD4BCHE

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 1049/4885LTA4H 1197/4885CHRM4 3875/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KMT2A 1049/4885LTA4H 1197/4885CHRM4 3875/4885

“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.