SCHEMBL5212864

SCHEMBL5212864

CCOP(=O)(Cc1ccc(NC(=O)CCc2sc(NC(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)cc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLTP P55058 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
PSD A5PKW4 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
DHODH Q02127 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL5210337 0.93 PTGDR2 (0.42) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5210754 0.92 MAPT (0.44) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6608445 0.92 PLTP (0.47) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5212166 0.89 PTGDR2 (0.54) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5207488 0.89 MAPT (0.40) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6609290 0.87 GRM4 (0.44) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6611692 0.87 MAPT (0.38) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5212184 0.86 MAPT (0.59) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5214955 0.85 PTGDR2 (0.46) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5215193 0.85 MAPT (0.45) PTGDR2MEN1KMT2AMAPTSMN1; SMN2

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 PTGDR2 394/4885MEN1 1626/4885KMT2A 680/4885

“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.