SCHEMBL5212758

SCHEMBL5212758

CCOP(=O)(OCC)C(OC)c1ccc(NC(=O)CCc2oc(-n3cnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
POLB P06746 2/20 0.38
THRB P10828 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AURKA O14965 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TNKS O95271 1/20 0.35
CETP P11597 3/20 0.34
ADRA2B P18089 2/20 0.33
TP53 P04637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5211229 0.92 MAPT (0.38) MAPTPOLBTHRBRXFP1AURKA
SCHEMBL5210089 0.91 MAPT (0.37) MAPTPOLBTHRBRXFP1AURKA
SCHEMBL5211482 0.87 LTA4H (0.43) MAPTPOLBTHRBRXFP1AURKA
SCHEMBL5207954 0.86 RAB9A (0.42) MAPTPOLBTHRBRXFP1MEN1
SCHEMBL5207019 0.86 MAPT (0.39) MAPTPOLBTHRBRXFP1AURKA
SCHEMBL5211116 0.85 MAPT (0.38) MAPTPOLBTHRBRXFP1AURKA
SCHEMBL5211421 0.85 TNKS (0.42) MAPTPOLBTHRBRXFP1MEN1
SCHEMBL5212587 0.84 THRB (0.50) MAPTTHRBRXFP1AURKAMEN1
SCHEMBL5208057 0.83 FGFR1 (0.46) MAPTPOLBTHRBRXFP1MEN1
SCHEMBL5211723 0.83 LTA4H (0.41) MAPTPOLBTHRBRXFP1AURKA

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 MAPT 3958/4885POLB 3507/4885THRB 1357/4885

“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.