SCHEMBL16775918

SCHEMBL16775918

O=C(Nc1ccnnc1)N1CCCNc2ccc(-c3cccc(Cl)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ CNR1 P21554 3/20 0.39
▸ CNR2 P34972 4/20 0.39
▸ GAA P10253 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ FYN P06241 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ RPS6KA3 P51812 2/20 0.35
▸ RPS6KA2 Q15349 1/20 0.35
▸ MAPT P10636 1/20 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
SCHEMBL16775910 0.89 TSHR (0.48) TP53TSHRHTR2AHTR2CRPS6KA3
SCHEMBL16775911 0.86 RPS6KA3 (0.43) CNR1CNR2GAATP53SMN1; SMN2
SCHEMBL16775916 0.85 FAAH (0.38) CNR1CNR2GAATP53SMN1; SMN2
SCHEMBL16775825 0.83 CNR2 (0.53) SIRT2CNR1CNR2GAATP53
SCHEMBL16775936 0.82 FGFR4 (0.43) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL16775830 0.82 CNR2 (0.37) CNR1CNR2TSHRGRM5RPS6KA3
SCHEMBL16775913 0.81 MPL (0.42) CNR1CNR2ALDH1A1GRM5RPS6KA2
SCHEMBL16775909 0.81 RAB9A (0.44) CNR1CNR2GAATP53SMN1; SMN2
SCHEMBL16775912 0.81 RPS6KA3 (0.41) CNR1CNR2GAATP53SMN1; SMN2
SCHEMBL16775905 0.80 KMT2A (0.39) CNR1CNR2SMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SIRT2 3/4885CNR1 2946/4885CNR2 2514/4885

“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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