SCHEMBL3065450

SCHEMBL3065450

C[C@@H]1CN(c2c(F)cc(C#Cc3nccs3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GRM5 P41594 1/20 0.34
GRM4 Q14833 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
USP30 Q70CQ3 1/20 0.30
ACACB O00763 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
SCHEMBL3065398 1.00 HTT (0.39) HTTKDM4EGRM5GRM4ALDH1A1
SCHEMBL3062297 0.84 HTT (0.39) HTTKDM4EALDH1A1MAPTHPGD
SCHEMBL3067894 0.84 KDM4E (0.34) HTTKDM4E
SCHEMBL3061579 0.83 KDM4E (0.39) HTTKDM4EGRM4ALDH1A1MAPT
SCHEMBL3069764 0.82 KDM4E (0.34) HTTKDM4E
SCHEMBL3065399 0.82 KDM4E (0.34) HTTKDM4E
SCHEMBL3057172 0.81 ERN1 (0.46) HTTKDM4EGRM4ALDH1A1MAPT
SCHEMBL3070590 0.81 KDM4E (0.37) HTTKDM4EALDH1A1MAPTUSP30
SCHEMBL3069860 0.80 HTT (0.44) HTTKDM4EALDH1A1MAPTHPGD
SCHEMBL3062271 0.80 KDM4E (0.39) HTTKDM4EGRM4MAPTUSP30

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 HTT 2271/4885KDM4E 4486/4885GRM5 2344/4885

“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.