SCHEMBL19865037

SCHEMBL19865037

CN1CCCN(C(=O)Nc2cncc(OCC(O)CO)n2)c2nc(-c3cccc(Cl)c3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.36
▸ TP53 P04637 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ AVPR1B P47901 9/20 0.34
▸ BRAF P15056 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RAF1 P04049 1/20 0.31

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
SCHEMBL19365231 0.92 GRM5 (0.37) GRM5AVPR1BBRAFCNR2MAPT
SCHEMBL12654230 0.86 GRM5 (0.36) GRM5AVPR1BBRAFCNR2MAPT
SCHEMBL18415692 0.83 GRM5 (0.36) GRM5TP53GAASMN1; SMN2AVPR1B
SCHEMBL19670229 0.82 POLB (0.42) GRM5TP53GAASMN1; SMN2BRAF
SCHEMBL19365868 0.81 GPR52 (0.38) SMN1; SMN2MAPTRAF1
SCHEMBL16238670 0.80 GRM5 (0.34) GRM5SMN1; SMN2RAF1
SCHEMBL19670160 0.80 PRMT5 (0.42) CNR2
SCHEMBL19670122 0.80 GRM5 (0.34) GRM5BRAFKMT2ARAF1
SCHEMBL16775870 0.79 GRM5 (0.39) GRM5
SCHEMBL19670227 0.79 FGFR4 (0.48) GRM5TP53GAASMN1; SMN2AVPR1B

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 4062/4885TP53 349/4885GAA 1549/4885

“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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