SCHEMBL16785534

SCHEMBL16785534

CCCc1cccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3NCC[C@H]2C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 5/20 0.43
▸ FYN P06241 1/20 0.39
▸ DCUN1D1 Q96GG9 7/20 0.38
▸ UBE2M P61081 6/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ ACKR3 P25106 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ KCNJ6 P48051 1/20 0.36
▸ KCNJ5 P48544 1/20 0.36
▸ KCNJ3 P48549 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
SCHEMBL16776434 0.95 PTGER3 (0.39) SLC5A1FYNDCUN1D1UBE2MEPHB4
SCHEMBL16776479 0.90 SLC5A1 (0.41) SLC5A1FYNEPHB4RAF1BRAF
SCHEMBL16776417 0.89 SMN1; SMN2 (0.38) FYNDCUN1D1UBE2MEPHB4RAF1
SCHEMBL16776418 0.88 RXFP1 (0.37) FYNDCUN1D1UBE2MEPHB4RAF1
SCHEMBL16776472 0.87 CA2 (0.41) SLC5A1FYNEPHB4RAF1BRAF
SCHEMBL16776419 0.85 BRAF (0.40) FYNEPHB4RAF1BRAFCA2
SCHEMBL16776355 0.85 CA2 (0.41) SLC5A1FYNCA2CA9
SCHEMBL16776294 0.85 RHOA (0.48) FYNRAF1BRAF
SCHEMBL16776423 0.84 SMN1; SMN2 (0.48) FYNRAF1BRAFCA2CA9
SCHEMBL16776292 0.83 SMN1; SMN2 (0.39) SLC5A1FYNEPHB4RAF1BRAF

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 SLC5A1 1202/4885FYN 2694/4885DCUN1D1 1730/4885

“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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