SCHEMBL5212178

SCHEMBL5212178

CCC(CC)(c1ccc(NC(=O)CCc2sc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PTGDR2 Q9Y5Y4 9/20 0.48
KDM4E B2RXH2 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
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 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL5208386 0.89 PTGDR2 (0.47) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5212160 0.88 PTGDR2 (0.56) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5210751 0.88 PTGDR2 (0.47) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5207665 0.87 HTT (0.49) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5212862 0.86 PTGDR2 (0.43) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5207663 0.85 PTGDR2 (0.46) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5215189 0.85 MAPT (0.46) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5210333 0.85 PTGDR2 (0.42) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5214949 0.84 PTGDR2 (0.47) MAPTKMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL5207481 0.84 PTGDR2 (0.42) 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.