SCHEMBL3069860

SCHEMBL3069860

C[C@@H]1CN(c2cc(F)c(C#Cc3nccs3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP30 Q70CQ3 3/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
WDR5 P61964 1/20 0.30
MAP3K14 Q99558 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
SCHEMBL3062566 0.84 KDM4E (0.39) HTTKDM4EPDE3BPDE3AALDH1A1
SCHEMBL3062297 0.84 HTT (0.39) HTTKDM4EALDH1A1MAPTHPGD
SCHEMBL3066971 0.83 KDM4E (0.44) HTTKDM4EPDE3BPDE3AKMT2A
SCHEMBL3068282 0.82 KDM4E (0.39) HTTKDM4EPDE3BPDE3AALDH1A1
SCHEMBL3052119 0.81 ERN1 (0.37) HTTKDM4EPDE3BPDE3AALDH1A1
SCHEMBL3070501 0.81 KDM4E (0.42) HTTKDM4EPDE3BPDE3AKMT2A
SCHEMBL3066951 0.80 KDM4E (0.37) HTTKDM4EPDE3BPDE3AALDH1A1
SCHEMBL3065450 0.80 HTT (0.39) HTTKDM4EALDH1A1USP30MAPT
SCHEMBL3057167 0.80 KDM4E (0.41) HTTKDM4EPDE3BPDE3AKMT2A
SCHEMBL3065398 0.80 HTT (0.39) HTTKDM4EALDH1A1USP30MAPT

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-20100261719-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-10-14 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-20100261719-A1 CHEMICAL COMPOUNDS NCOA3, NR4A3, NR0B2 HTT 2271/4885KDM4E 4486/4885PDE3B 1185/4885

“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.