SCHEMBL2213719

SCHEMBL2213719

C[C@@H]1CN(c2nc(F)c(I)cc2CO)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
MTOR P42345 5/20 0.38
PIK3CA P42336 2/20 0.38
PIK3R1 P27986 1/20 0.38
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2214688 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL2212612 0.77 TSHR (0.42) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL2212616 0.77 TSHR (0.42) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL2250848 0.73 TSHR (0.38) ALDH1A1KDM4EKMT2AL3MBTL1MTOR
SCHEMBL2215049 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL2250852 0.73 TSHR (0.38) ALDH1A1KDM4EKMT2AL3MBTL1MTOR
SCHEMBL2216378 0.73 KDM4E (0.36) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL2215064 0.71 TP53 (0.33)
SCHEMBL5011006 0.68 KDM4E (0.39) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL27092814 0.65 KDM4E (0.48) ALDH1A1KDM4EMEN1KMT2ALMNA

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 ALDH1A1 246/4885KDM4E 4617/4885MEN1 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.