SCHEMBL13310652

SCHEMBL13310652

CC(C)(C)Cc1nccn1CC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 4/20 0.39
PLAA Q9Y263 2/20 0.39
FDPS P14324 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALPL P05186 3/20 0.38
FPR2 P25090 3/20 0.37
ALDH1A1 P00352 1/20 0.34
TRPA1 O75762 2/20 0.32
ALPI P09923 1/20 0.32

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
SCHEMBL13310633 0.85 FPR2 (0.45) ALPGPLAAFDPSCA12CA1
SCHEMBL13310544 0.81 FPR2 (0.40) ALPGPLAACA12CA1CA2
SCHEMBL11936765 0.77 RAB9A (0.39) ALPGPLAACA12CA1CA2
SCHEMBL13310650 0.76 SMN1; SMN2 (0.54) FDPSFPR2KMT2AMEN1SMN1; SMN2
SCHEMBL12776032 0.75 CYP1A2 (0.39) FDPSALDH1A1KMT2AMEN1
SCHEMBL2427242 0.75 FDPS (0.43) ALPGPLAAFDPSCA12CA1
SCHEMBL1179644 0.74 ALPL (0.53) ALPGPLAAFDPSCA12CA1
SCHEMBL11930757 0.74 LMNA (0.38) ALPGPLAACA12CA1CA2
SCHEMBL22176033 0.73 FDPS (0.36) FDPSALDH1A1KMT2AMEN1
SCHEMBL19033087 0.70 LMNA (0.36) ALPGPLAACA12CA1CA2

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-8309544-B2 Spiroindalones MERCK SHARP & DOHME CORP. (US) 2012-11-13 US disclosed
US-20100137297-A1 SPIROINDALONES MERCK SHARP & DOHME LLC 2010-06-03 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-20100137297-A1 SPIROINDALONES HIF1AN, HIF1A, EGLN2 ALPG 4515/4885PLAA 4580/4885FDPS 628/4885

“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.