SCHEMBL2212813

SCHEMBL2212813

C[C@@H]1CN(c2ncc(-c3cc4ccccc4s3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.46
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 2/20 0.40
GRIN2B Q13224 1/20 0.38
GAK O14976 1/20 0.38
PIK3CA P42336 4/20 0.38
PIK3R1 P27986 3/20 0.38
MTOR P42345 3/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FYN P06241 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL2215437 0.83 HSD17B10 (0.43) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2216763 0.82 ERN1 (0.40) ERN1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2215416 0.81 GAK (0.52) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2213140 0.81 GAA (0.42) ERN1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2214778 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2212668 0.78 ERN1 (0.44) ERN1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2215288 0.78 L3MBTL1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2217944 0.78 SCN9A (0.43) ERN1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2215017 0.78 GAK (0.35) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2216429 0.77 PIK3CA (0.44) ALDH1A1KDM4ELMNAGAAGAK

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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX ERN1 2259/4885ALDH1A1 246/4885MEN1 2336/4885

“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.