SCHEMBL16754585

SCHEMBL16754585

O=C(Nc1cc(OCC(O)CO)ccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ KDR P35968 8/20 0.35
▸ BRAF P15056 5/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ RAF1 P04049 2/20 0.34
▸ CPT2 P23786 1/20 0.34
▸ CPT1A P50416 1/20 0.34
▸ CPT1B Q92523 1/20 0.34
▸ IDH2 P48735 2/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ LPL P06858 1/20 0.33
▸ LIPC P11150 1/20 0.33

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
SCHEMBL16754582 1.00 CA2 (0.37) CA2CA9KDRBRAFSCN1A
SCHEMBL16754322 1.00 CA2 (0.37) CA2CA9KDRBRAFSCN1A
SCHEMBL16754323 1.00 CA2 (0.37) CA2CA9KDRBRAFSCN1A
SCHEMBL16754583 1.00 CA2 (0.37) CA2CA9KDRBRAFSCN1A
SCHEMBL16754320 1.00 CA2 (0.37) CA2CA9KDRBRAFSCN1A
SCHEMBL19706780 1.00 CA2 (0.37) CA2CA9KDRBRAFSCN1A
SCHEMBL16754531 0.91 CA2 (0.36) CA2CA9BRAFKMORAF1
SCHEMBL16754528 0.91 CA2 (0.36) CA2CA9BRAFKMORAF1
SCHEMBL16754530 0.91 CA2 (0.36) CA2CA9BRAFKMORAF1
SCHEMBL19699696 0.90 CA2 (0.38) CA2CA9SCN1ASCN5ASCN9A

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 claimed

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 4248/4885KDR 1697/4885

“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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