SCHEMBL4875544

SCHEMBL4875544

CCCN(C(=[N])N(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 14/20 0.64
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR1H2 P55055 4/20 0.48
NR1H3 Q13133 4/20 0.48

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
Hydrochloric Acid SCHEMBL4425102 0.85 MLYCD (0.61) MLYCDLMNASMN1; SMN2NR1H2NR1H3
SCHEMBL4875535 0.85 MLYCD (0.61) MLYCDLMNASMN1; SMN2NR1H2NR1H3
Hydrochloric Acid SCHEMBL4425100 0.84 MLYCD (0.60) MLYCDLMNASMN1; SMN2NR1H2NR1H3
SCHEMBL2942980 0.79 MLYCD (0.64) MLYCDLMNASMN1; SMN2
SCHEMBL3235441 0.78 MLYCD (1.00) MLYCD
SCHEMBL4883103 0.77 MLYCD (0.63) MLYCDNR1H2NR1H3
SCHEMBL2937273 0.77 MLYCD (0.66) MLYCDLMNASMN1; SMN2
SCHEMBL2945327 0.77 MLYCD (0.75) MLYCDLMNASMN1; SMN2NR1H2NR1H3
SCHEMBL11625955 0.77 MLYCD (0.66) MLYCDLMNASMN1; SMN2
SCHEMBL11622162 0.73 MLYCD (0.60) MLYCDLMNA

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-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-20 US claimed

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-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885LMNA 3668/4885SMN1; SMN2 2783/4885

“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.