SCHEMBL5213673

SCHEMBL5213673

CCC(CC)(c1ccc(NC(=O)Cc2sc(-n3cnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 2/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.39
NPSR1 Q6W5P4 2/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
MGLL Q99685 2/20 0.38
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 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
SCHEMBL5209799 0.93 MAPT (0.38) KMT2AMAPTMEN1SMN1; SMN2PTGDR2
SCHEMBL5211502 0.91 MAPT (0.39) KMT2AMAPTMEN1SMN1; SMN2PTGDR2
SCHEMBL5214248 0.91 MAPT (0.38) KMT2AMAPTMEN1SMN1; SMN2RXFP1
SCHEMBL5208773 0.90 MAPT (0.38) KMT2AMAPTMEN1SMN1; SMN2RXFP1
SCHEMBL5214802 0.86 TNKS (0.37) KMT2AMAPTMEN1SMN1; SMN2GAA
SCHEMBL5213679 0.83 KMT2A (0.48) KMT2AMAPTMEN1SMN1; SMN2GAA
SCHEMBL5207847 0.80 KMT2A (0.52) KMT2AMAPTMEN1SMN1; SMN2GAA
SCHEMBL5207013 0.80 MAPT (0.39) MAPTRXFP1ALDH1A1POLBLMNA
SCHEMBL5211877 0.79 LMNA (0.37) KMT2AMAPTMEN1SMN1; SMN2MGLL
SCHEMBL5214452 0.79 CA2 (0.39) KMT2AMAPTMEN1SMN1; SMN2GAA

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 KMT2A 680/4885MAPT 3958/4885MEN1 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.