SCHEMBL5208499

SCHEMBL5208499

CCOP(=O)(Cc1ccc(NC(=O)CCc2oc(-c3cn(C)c4ccccc34)nc2-c2ccc(Cl)cc2)cc1)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YES1 P07947 2/20 0.41
KDR P35968 2/20 0.41
JAK3 P52333 2/20 0.41
MAPT P10636 5/20 0.40
POLB P06746 3/20 0.40
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR2 P34972 2/20 0.38
PTPN5 P54829 1/20 0.38
HDAC1 Q13547 3/20 0.37
EGFR P00533 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
AURKA O14965 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5214835 0.88 MAPT (0.40) YES1KDRJAK3MAPTPOLB
SCHEMBL5214457 0.85 NR1H2 (0.40) YES1KDRJAK3MAPTPOLB
SCHEMBL5208493 0.84 POLB (0.40) YES1KDRJAK3MAPTPOLB
SCHEMBL5213177 0.83 MAPT (0.40) KDRMAPTPOLBTHRBRXFP1
SCHEMBL5212423 0.83 MAPT (0.40) MAPTPOLBTHRBRXFP1TP53
SCHEMBL5207021 0.82 MAPT (0.44) MAPTTP53KDM4ENPSR1AURKA
SCHEMBL5207604 0.82 TP53 (0.47) KDRMAPTRXFP1TP53KDM4E
SCHEMBL5211940 0.81 MAPT (0.45) MAPTTP53KDM4ENPSR1MEN1
SCHEMBL5207445 0.81 MEN1 (0.49) KDRMAPTPOLBTHRBRXFP1
SCHEMBL5215008 0.81 MAPT (0.41) KDRMAPTTHRBRXFP1TP53

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 YES1 2942/4885KDR 961/4885JAK3 2219/4885

“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.