SCHEMBL16775898

SCHEMBL16775898

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1ccc2c(c1)C(=O)OC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ BRAF P15056 7/20 0.40
▸ RAF1 P04049 6/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ SLC5A1 P13866 5/20 0.37
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ PPIA P62937 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 0.85 SLC5A1 (0.41) MEN1KMT2ABRAFRAF1SLC5A1
SCHEMBL16775900 0.85 LMNA (0.40) BRAFRAF1SLC5A1CA2CA9
SCHEMBL16776472 0.85 CA2 (0.41) BRAFRAF1SLC5A1CA2CA9
SCHEMBL16776355 0.84 CA2 (0.41) RXFP1SLC5A1CA2CA9FYN
SCHEMBL19670353 0.84 MEN1 (0.44) MEN1KMT2ARXFP1BRAFRAF1
SCHEMBL16776434 0.83 PTGER3 (0.39) MEN1KMT2ABRAFRAF1SLC5A1
SCHEMBL16785534 0.82 SLC5A1 (0.43) BRAFRAF1SLC5A1CA2CA9
SCHEMBL16776368 0.82 RHOA (0.36) BRAFRAF1SLC5A1CA2CA9
SCHEMBL16776293 0.82 CA2 (0.38) KMT2ABRAFRAF1SLC5A1CA2
SCHEMBL16775894 0.82 FYN (0.37) BRAFRAF1CA2CA9MAPT

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 MEN1 3676/4885KMT2A 1438/4885RXFP1 1296/4885

“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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