SCHEMBL16776293

SCHEMBL16776293

Cc1ccc(-c2ccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4NCC[C@H]3C)cc2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC5A1 P13866 5/20 0.36
▸ CTPS1 P17812 1/20 0.35
▸ RAF1 P04049 3/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ RET P07949 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ BRAF P15056 2/20 0.35
▸ KIF11 P52732 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 0.88 SLC5A1 (0.41) CA2CA9KMT2ASMN1; SMN2SLC5A1
SCHEMBL16776472 0.87 CA2 (0.41) CA2CA9SLC5A1RAF1JAK2
SCHEMBL16776355 0.86 CA2 (0.41) CA2CA9SLC5A1CTPS1JAK2
SCHEMBL19365360 0.85 CA2 (0.38) CA2CA9KDM4EHPGDKMT2A
SCHEMBL16775900 0.82 LMNA (0.40) CA2CA9HPGDSMN1; SMN2SLC5A1
SCHEMBL16776434 0.82 PTGER3 (0.39) CA2CA9KMT2ASLC5A1RAF1
SCHEMBL16775898 0.82 MEN1 (0.43) CA2CA9KDM4EKMT2ASLC5A1
SCHEMBL16776294 0.81 RHOA (0.48) KMT2ARAF1BRAF
SCHEMBL16785534 0.81 SLC5A1 (0.43) CA2CA9SLC5A1RAF1BRAF
SCHEMBL16775894 0.81 FYN (0.37) CA2CA9HPGDSMN1; SMN2RAF1

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 CA2 4253/4885CA9 4248/4885KDM4E 950/4885

“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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