SCHEMBL5211344

SCHEMBL5211344

CCOP(=O)(OCC)c1ccc(NC(=O)CCc2sc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
PTGDR2 Q9Y5Y4 9/20 0.49
NPSR1 Q6W5P4 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL5212184 0.89 MAPT (0.59) MAPTKMT2AMEN1SMN1; SMN2LTA4H
SCHEMBL5211176 0.83 MAPT (0.65) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5208725 0.82 KMT2A (0.70) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5212178 0.82 MAPT (0.59) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5209787 0.82 LTA4H (0.50) MAPTKMT2AMEN1SMN1; SMN2LTA4H
SCHEMBL5213993 0.82 KMT2A (0.69) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL6608445 0.78 PLTP (0.47) MAPTKMT2AMEN1SMN1; SMN2LTA4H
SCHEMBL5212166 0.78 PTGDR2 (0.54) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5210754 0.78 MAPT (0.44) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5207118 0.77 MAPT (0.57) MAPTKMT2AMEN1SMN1; SMN2PTGDR2

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 3958/4885KMT2A 680/4885MEN1 1626/4885

“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.