SCHEMBL2214688

SCHEMBL2214688

C[C@@H]1CN(c2nc(F)c(I)cc2C(=O)O)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 8/20 0.41
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 4/20 0.38
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GAK O14976 1/20 0.34
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
SCHEMBL2213719 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL2211812 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL1300386 0.69 KEAP1 (0.41) ALDH1A1GAAKDM4EALOX15TSHR
SCHEMBL2306871 0.68 TSHR (0.41) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL2305986 0.68 TSHR (0.41) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL5014273 0.68 TSHR (0.41) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL11275892 0.66 MAPT (0.38) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL1014900 0.65 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL12413781 0.64 POLB (0.47) ALDH1A1KDM4ELMNAHTTHSD17B10
SCHEMBL29890122 0.64 KDM4E (0.48) ALDH1A1MEN1KMT2AGAAKDM4E

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 3 patents. 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
EP-2178876-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL AstraZeneca AB (SE) 2010-04-28 EP disclosed
WO-2009010801-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA UK LIMITED (GB) 2009-01-22 WO 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 246/4885MEN1 2336/4885KMT2A 4476/4885

“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.