SCHEMBL6750480

SCHEMBL6750480

Cn1c(=N)n(CC(=O)c2cc(N3CCCC3)c(OCCCC(=O)OC(=O)C(F)(F)F)c(C(C)(C)C)c2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.51
RAB9A P51151 6/20 0.42
NPC1 O15118 4/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
CXCR3 P49682 4/20 0.39

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
SCHEMBL6748349 0.92 F2R (0.54) F2RRAB9ANPC1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6750474 0.90 F2R (0.53) F2RRAB9ANPC1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6748346 0.84 F2R (0.55) F2RRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL5484953 0.74 F2R (0.42) F2R
SCHEMBL1731654 0.74 F2R (0.67) F2R
SCHEMBL6746421 0.73 F2R (0.54) F2RRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL1730675 0.72 F2R (0.59) F2R
SCHEMBL6364086 0.72 F2R (0.66) F2R
SCHEMBL1729433 0.72 F2R (0.48) F2R
Bromide SCHEMBL2346025 0.71 F2R (0.98) F2RRAB9ANPC1KMT2ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242627-A1 2-Iminoimidazole derivatives (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-02 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-20040242627-A1 2-Iminoimidazole derivatives (1) H1-2, H1-0, H1-3 F2R 4027/4885RAB9A 1696/4885NPC1 3254/4885

“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.