SCHEMBL16776418

SCHEMBL16776418

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ FYN P06241 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ UBE2M P61081 4/20 0.36
▸ DCUN1D1 Q96GG9 4/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ BRAF P15056 3/20 0.35
▸ PIKFYVE Q9Y2I7 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ RAF1 P04049 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ TRPV1 Q8NER1 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
SCHEMBL16776417 0.96 SMN1; SMN2 (0.38) LMNAALDH1A1SMN1; SMN2MAPTFYN
SCHEMBL16785534 0.88 SLC5A1 (0.43) FYNUBE2MDCUN1D1EPHB4BRAF
SCHEMBL16776419 0.87 BRAF (0.40) LMNAALDH1A1SMN1; SMN2MAPTFYN
SCHEMBL16776434 0.87 PTGER3 (0.39) FYNUBE2MDCUN1D1EPHB4BRAF
SCHEMBL16776479 0.86 SLC5A1 (0.41) LMNASMN1; SMN2MAPTFYNEPHB4
SCHEMBL16776472 0.84 CA2 (0.41) FYNEPHB4BRAFRAF1CA2
SCHEMBL16776355 0.83 CA2 (0.41) RXFP1FYNCA2CA9TRPV1
SCHEMBL16776294 0.83 RHOA (0.48) LMNAMAPTFYNBRAFRAF1
SCHEMBL16776423 0.81 SMN1; SMN2 (0.48) LMNAALDH1A1SMN1; SMN2MAPTFYN
SCHEMBL17618863 0.80 MEN1 (0.39) RXFP1LMNAALDH1A1SMN1; SMN2MAPT

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 RXFP1 1296/4885LMNA 3617/4885ALDH1A1 1726/4885

“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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