SCHEMBL17769799

SCHEMBL17769799

COC(=O)C[C@@H]1Nc2nc(Cl)nc(C)c2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
USP2 O75604 2/20 0.34
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 6/20 0.31
MEN1 O00255 5/20 0.31
KMT2A Q03164 5/20 0.31
TP53 P04637 3/20 0.31
HPGD P15428 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
CASP1 P29466 1/20 0.31
POLB P06746 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL17769796 1.00 GAA (0.40) GAAUSP2HTTHSD17B10MAPT
SCHEMBL17769793 0.88 GAA (0.33) GAAMAPT
SCHEMBL17769457 0.88 GAA (0.33) GAAMAPT
SCHEMBL16754288 0.81 GAA (0.39) GAAUSP2HSD17B10MAPTMEN1
SCHEMBL16754286 0.81 GAA (0.39) GAAUSP2HSD17B10MAPTMEN1
SCHEMBL17769471 0.80 KDM4E (0.33) HSD17B10CYP1A2KDM4EALDH1A1LMNA
SCHEMBL21491625 0.79 HSP90AA1 (0.31)
SCHEMBL17769425 0.77 GAA (0.38) GAAUSP2HTTHSD17B10MAPT
SCHEMBL17769424 0.77 GAA (0.38) GAAUSP2HTTHSD17B10MAPT
SCHEMBL16238376 0.72 GAA (0.41) GAAUSP2HTTHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 US disclosed
EP-3220918-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 EP disclosed
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO 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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GAA 1087/4885USP2 329/4885HTT 365/4885

“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.