SCHEMBL5532424

SCHEMBL5532424

CC(C)COC(=O)C(N)CCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 2/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ TSHR P16473 4/20 0.35
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL5532428 1.00 NOS2 (0.39) NOS2NOS3NOS1TSHRUSP2
SCHEMBL4602922 0.89 TSHR (0.41) NOS2NOS3NOS1TSHRGAA
SCHEMBL4602923 0.89 TSHR (0.41) NOS2NOS3NOS1TSHRGAA
SCHEMBL4602287 0.80 NOS2 (0.42) NOS2NOS3NOS1GAACHRNB2
SCHEMBL19547628 0.80 GSR (0.44) TSHRALDH1A1SLC15A1SLC7A5
SCHEMBL4602289 0.80 NOS2 (0.42) NOS2NOS3NOS1GAACHRNB2
SCHEMBL19547630 0.79 GSR (0.52) TSHRRNPEP
SCHEMBL26660574 0.77 GRIK1 (0.45) SLC15A1
SCHEMBL19248428 0.76 TSHR (0.41) TSHRALDH1A1CHRM1CHRM3SMN1; SMN2
SCHEMBL61007 0.76 TSHR (0.41) TSHRALDH1A1SMN1; SMN2SLC7A5ANPEP

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-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 — — 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-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 NOS2 2281/4885NOS3 898/4885NOS1 1779/4885

“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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