SCHEMBL19699696

SCHEMBL19699696

O=C(Nc1cccc(OC[C@@H](O)CO)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ ADRB2 P07550 3/20 0.38
▸ ADRB1 P08588 3/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ SCN1A P35498 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL16754585 0.90 CA2 (0.37) CA2CA9SCN1ASCN5ASCN9A
SCHEMBL19706780 0.90 CA2 (0.37) CA2CA9SCN1ASCN5ASCN9A
SCHEMBL16754555 0.90 RAF1 (0.39) CA2CA9MEN1KMT2AALDH1A1
SCHEMBL16754320 0.90 CA2 (0.37) CA2CA9SCN1ASCN5ASCN9A
SCHEMBL16754554 0.90 RAF1 (0.39) CA2CA9MEN1KMT2AALDH1A1
SCHEMBL16754322 0.90 CA2 (0.37) CA2CA9SCN1ASCN5ASCN9A
SCHEMBL16754582 0.90 CA2 (0.37) CA2CA9SCN1ASCN5ASCN9A
SCHEMBL16754583 0.90 CA2 (0.37) CA2CA9SCN1ASCN5ASCN9A
SCHEMBL16754323 0.90 CA2 (0.37) CA2CA9SCN1ASCN5ASCN9A
SCHEMBL16754556 0.90 RAF1 (0.39) CA2CA9MEN1KMT2AALDH1A1

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4293/4885CA9 4132/4885F10 1446/4885

“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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