SCHEMBL19689726

SCHEMBL19689726

O=C(Nc1ccnc(OCC(O)CO)c1)N1c2nc(-c3cncc(C(F)(F)F)c3)c(Cl)cc2N2CC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 5/20 0.39
▸ TRPV1 Q8NER1 8/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ SCN10A Q9Y5Y9 5/20 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
SCHEMBL19689725 1.00 RAF1 (0.39) RAF1TRPV1ABL1CNR2SCN10A
SCHEMBL19689799 0.92 RAF1 (0.38) RAF1TRPV1SCN10A
SCHEMBL17778714 0.92 RAF1 (0.38) RAF1TRPV1SCN10A
SCHEMBL19689800 0.92 RAF1 (0.38) RAF1TRPV1SCN10A
SCHEMBL17767972 0.92 RAF1 (0.38) RAF1TRPV1SCN10A
SCHEMBL19689828 0.89 RAF1 (0.36) RAF1TRPV1
SCHEMBL19689829 0.89 RAF1 (0.36) RAF1TRPV1
SCHEMBL20720919 0.88 RAF1 (0.37) RAF1TRPV1CNR2
SCHEMBL17778595 0.88 RAF1 (0.37) RAF1TRPV1CNR2
SCHEMBL17769296 0.88 RAF1 (0.37) RAF1TRPV1CNR2

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-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 RAF1 2078/4885TRPV1 4032/4885ABL1 3898/4885

“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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