SCHEMBL16776417

SCHEMBL16776417

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ FYN P06241 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ BRAF P15056 4/20 0.36
▸ PIKFYVE Q9Y2I7 2/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ UBE2M P61081 3/20 0.35
▸ DCUN1D1 Q96GG9 3/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 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
SCHEMBL16776418 0.96 RXFP1 (0.37) SMN1; SMN2LMNAMAPTALDH1A1FYN
SCHEMBL16785534 0.89 SLC5A1 (0.43) FYNEPHB4BRAFRAF1CA2
SCHEMBL16776419 0.88 BRAF (0.40) SMN1; SMN2LMNAMAPTALDH1A1FYN
SCHEMBL16776434 0.88 PTGER3 (0.39) FYNEPHB4BRAFRAF1CA2
SCHEMBL16776479 0.88 SLC5A1 (0.41) SMN1; SMN2LMNAMAPTFYNEPHB4
SCHEMBL16776472 0.85 CA2 (0.41) FYNEPHB4BRAFRAF1CA2
SCHEMBL16776355 0.85 CA2 (0.41) FYNCA2CA9TRPV1
SCHEMBL16776294 0.84 RHOA (0.48) LMNAMAPTFYNBRAFRAF1
SCHEMBL16776423 0.82 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTALDH1A1FYN
SCHEMBL16776292 0.81 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTALDH1A1FYN

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 SMN1; SMN2 2122/4885LMNA 3617/4885MAPT 267/4885

“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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