SCHEMBL19669056

SCHEMBL19669056

O=C(O)c1cc(NC(=S)NCc2ccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)cc2)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 9/20 0.52
▸ CA2 P00918 9/20 0.52
▸ CA9 Q16790 9/20 0.52
▸ CA12 O43570 5/20 0.52
▸ CA14 Q9ULX7 4/20 0.52
▸ ELF3 P78545 4/20 0.48
▸ MED23 Q9ULK4 4/20 0.48
▸ CA7 P43166 2/20 0.46
▸ ADRA1D P25100 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ HTR3A P46098 3/20 0.44
▸ FKBP1A P62942 3/20 0.44

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
SCHEMBL19669980 0.97 CA1 (0.51) CA1CA2CA9CA12CA14
SCHEMBL19365748 0.97 CA1 (0.51) CA1CA2CA9CA12CA14
SCHEMBL19361190 0.88 SLC5A2 (0.50) HTR3A
SCHEMBL16250025 0.86 SLC5A2 (0.50) HTR3AFKBP1A
SCHEMBL19669062 0.86 SLC5A2 (0.50) HTR3AFKBP1A
SCHEMBL19365750 0.85 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL19365740 0.78 SLC5A2 (0.50) HTR3A
SCHEMBL19361189 0.77 SIRT5 (0.31) —
SCHEMBL19862439 0.75 KMT2A (0.41) CA2CA9
SCHEMBL16754369 0.75 IDH2 (0.41) CA2CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA1 4553/4885CA2 4253/4885CA9 4248/4885

“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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