SCHEMBL3066876

SCHEMBL3066876

C#Cc1cc(F)c(N2C[C@@H](C)O[C@@H](C)C2)c(C=O)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 5/20 0.33
TSHR P16473 1/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 2/20 0.31
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL15609918 0.87 ALDH1A1 (0.38) KDM4EHTTALDH1A1TSHRPDE3B
SCHEMBL3070590 0.84 KDM4E (0.37) KDM4EHTTALDH1A1TSHRPDE3B
SCHEMBL3061579 0.80 KDM4E (0.39) KDM4EHTTALDH1A1PDE3BPDE3A
SCHEMBL4505828 0.80 HTT (0.39) KDM4EHTTALDH1A1TSHRPDE3B
SCHEMBL3075477 0.80 KDM4E (0.39) KDM4EHTTALDH1A1TSHRPDE3B
SCHEMBL3052855 0.80 KDM4E (0.36) KDM4EHTTALDH1A1TSHRMAPT
SCHEMBL3057172 0.78 ERN1 (0.46) KDM4EHTTALDH1A1MAPTGAA
SCHEMBL3069763 0.78 ERN1 (0.46) KDM4EHTT
SCHEMBL3065398 0.77 HTT (0.39) KDM4EHTTALDH1A1MAPTUSP30
SCHEMBL3069764 0.77 KDM4E (0.34) KDM4EHTT

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-20100261719-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
EP-2193132-A2 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2010-06-09 EP disclosed
WO-2009004382-A2 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2009-01-08 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-20100261719-A1 CHEMICAL COMPOUNDS NCOA3, NR4A3, NR0B2 KDM4E 4486/4885HTT 2271/4885ALDH1A1 2604/4885

“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.