SCHEMBL16776419

SCHEMBL16776419

CC(C)C(=O)c1cccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3NCC[C@H]2C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 5/20 0.40
▸ RAF1 P04049 5/20 0.40
▸ FYN P06241 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ PIKFYVE Q9Y2I7 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL16776479 0.89 SLC5A1 (0.41) BRAFRAF1FYNTRPV1SMN1; SMN2
SCHEMBL16776417 0.88 SMN1; SMN2 (0.38) BRAFRAF1FYNTRPV1PIKFYVE
SCHEMBL16776418 0.87 RXFP1 (0.37) BRAFRAF1FYNTRPV1PIKFYVE
SCHEMBL16776472 0.86 CA2 (0.41) BRAFRAF1FYNTRPV1CA2
SCHEMBL16776434 0.86 PTGER3 (0.39) BRAFRAF1FYNCA2CA9
SCHEMBL16776355 0.86 CA2 (0.41) FYNTRPV1CA2CA9
SCHEMBL16785534 0.85 SLC5A1 (0.43) BRAFRAF1FYNCA2CA9
SCHEMBL16775862 0.85 CNR2 (0.40) BRAFRAF1FYNMEN1KMT2A
SCHEMBL16776294 0.84 RHOA (0.48) BRAFRAF1FYNLMNAMAPT
SCHEMBL16776423 0.84 SMN1; SMN2 (0.48) BRAFRAF1FYNTRPV1SMN1; 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 2 patents. 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
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 BRAF 3419/4885RAF1 2875/4885FYN 2694/4885

“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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