SCHEMBL2212962

SCHEMBL2212962

C[C@@H]1CN(c2ncc(-c3nc4ccccc4[nH]3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
PKM P14618 3/20 0.42
EPHX2 P34913 1/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL2215416 0.81 GAK (0.52) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2214778 0.81 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2214476 0.79 BRD4 (0.38) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2215437 0.78 HSD17B10 (0.43) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2217944 0.77 SCN9A (0.43) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2215288 0.77 L3MBTL1 (0.44) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2247007 0.76 PIK3CA (0.40) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2247014 0.76 PIK3CA (0.40) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2212668 0.76 ERN1 (0.44) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2216042 0.75 GAK (0.41) KDM4EALDH1A1MEN1KMT2ALMNA

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 KDM4E 4617/4885ALDH1A1 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.