SCHEMBL3070501

SCHEMBL3070501

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP30 Q70CQ3 3/20 0.33
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3066971 0.84 KDM4E (0.44) KDM4EHTTPDE3BPDE3AGAA
SCHEMBL3062681 0.84 KDM4E (0.42) KDM4EHTTPDE3BPDE3AGAA
SCHEMBL3052347 0.81 KDM4E (0.37) KDM4EHTTGAAALDH1A1SMN1; SMN2
SCHEMBL3068291 0.81 KDM4E (0.44) KDM4EHTTPDE3BPDE3AGAA
SCHEMBL3069860 0.81 HTT (0.44) KDM4EHTTPDE3BPDE3AGAA
SCHEMBL3062566 0.81 KDM4E (0.39) KDM4EHTTPDE3BPDE3AGAA
SCHEMBL3057167 0.81 KDM4E (0.41) KDM4EHTTPDE3BPDE3AGAA
SCHEMBL3066951 0.81 KDM4E (0.37) KDM4EHTTPDE3BPDE3AGAA
SCHEMBL3068282 0.81 KDM4E (0.39) KDM4EHTTPDE3BPDE3AGAA
SCHEMBL3068016 0.80 ERN1 (0.40) KDM4EHTTPDE3BPDE3AGAA

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 2271/4885PDE3B 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.