SCHEMBL21100529

SCHEMBL21100529

C=Nc1c(/C=N\C)cccc1CC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.42
GABRB2 P47870 4/20 0.42
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 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
SCHEMBL11441743 0.79 GABRA1 (0.42) GABRA1GABRB2ALDH1A1LMNA
SCHEMBL11214636 0.79 GABRA1 (0.56) GABRA1GABRB2ALDH1A1LMNAPKM
SCHEMBL23587494 0.77 GABRA1 (0.38) GABRA1GABRB2ALDH1A1LMNAGAA
SCHEMBL13363795 0.77 GABRA1 (0.38) GABRA1GABRB2ALDH1A1LMNAGAA
SCHEMBL21348074 0.72 GABRA1 (0.35) GABRA1GABRB2LMNAGAAMAPT
SCHEMBL11139239 0.72 GABRA1 (0.48) GABRA1GABRB2ALDH1A1LMNASMN1; SMN2
SCHEMBL11441729 0.71 GABRA1 (0.44) GABRA1GABRB2ALDH1A1LMNAGAA
SCHEMBL21999447 0.71 GAA (0.34) GAAMAPTRAB9ASMN1; SMN2
SCHEMBL21559977 0.68 GABRA1 (0.43) GABRA1GABRB2ALDH1A1LMNAMAPT
SCHEMBL11428148 0.67 GABRA1 (0.40) GABRA1GABRB2

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-10328078-B2 Pteridine dione monocarboxylate transporter inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2019-06-25 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-10328078-B2 Pteridine dione monocarboxylate transporter inhibitors SLC16A1, SLC16A3, SLC16A7 GABRA1 3305/4885GABRB2 2749/4885ALDH1A1 1079/4885

“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.