SCHEMBL16776453

SCHEMBL16776453

C=C(CCCC)c1ccc(NC(=O)N2CCCCN(C)c3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.36
▸ PLG P00747 2/20 0.36
▸ PLAU P00749 2/20 0.36
▸ PLAT P00750 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CFTR P13569 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ BRAF P15056 3/20 0.34
▸ UBE2M P61081 1/20 0.34

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
SCHEMBL19670654 0.85 CA2 (0.42) CA2CA9PLGPLAUPLAT
SCHEMBL20632330 0.84 TLR8 (0.36) TLR8ALDH1A1LMNACHRM4CHRM5
SCHEMBL19365537 0.83 CA2 (0.43) CA2CA9PLGPLAUPLAT
SCHEMBL19365797 0.82 TP53 (0.38) CA2CA9LMNATP53TRPV1
SCHEMBL20632673 0.81 CA2 (0.36) CA2CA9PLGPLAUPLAT
SCHEMBL20632070 0.80 BRAF (0.34) TLR8SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL19705998 0.80 TRPA1 (0.38) CA2CA9TLR8MAPTACP1
SCHEMBL20632479 0.79 LMNA (0.32) TLR8MAPTALDH1A1LMNABRAF
SCHEMBL12654500 0.79 CA2 (0.44) CA2CA9SMN1; SMN2GAABRAF
SCHEMBL19670371 0.77 NAMPT (0.44) CA2CA9SMN1; SMN2MAPTLMNA

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885TLR8 2136/4885

“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.

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