SCHEMBL19699126

SCHEMBL19699126

O=C(Nc1ccnc(CC[C@@H](O)CO)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ LPL P06858 1/20 0.38
▸ LIPC P11150 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SCN10A Q9Y5Y9 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMO O15229 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
SCHEMBL17777128 0.90 RAF1 (0.39) CA2CA9MEN1KMT2AKDM4E
SCHEMBL16754556 0.90 RAF1 (0.39) CA2CA9MEN1KMT2AKDM4E
SCHEMBL16754554 0.90 RAF1 (0.39) CA2CA9MEN1KMT2AKDM4E
SCHEMBL16754555 0.90 RAF1 (0.39) CA2CA9MEN1KMT2AKDM4E
SCHEMBL19699696 0.87 CA2 (0.38) CA2CA9MEN1KMT2AKDM4E
SCHEMBL17778389 0.85 CA2 (0.36) CA2CA9LPLLIPCLIPG
SCHEMBL17624646 0.85 CA2 (0.42) CA2CA9MEN1KMT2AKDM4E
SCHEMBL17618393 0.85 KMT2A (0.46) CA2CA9MEN1KMT2AKDM4E
SCHEMBL17618783 0.84 MEN1 (0.47) MEN1KMT2AKDM4ELMNAUSP2
SCHEMBL19670120 0.84 SCN10A (0.43) CA2CA9MEN1KMT2AKDM4E

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885LPL 2745/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885LPL 2745/4885

“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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