SCHEMBL5214923

SCHEMBL5214923

CCOP(=O)(Cc1ccc(NC(=O)CCCc2oc(N(C)Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
MAPT P10636 7/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MCL1 Q07820 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
THRB P10828 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
SCHEMBL5211339 0.87 MAPT (0.47) MAPTKDM4ENPSR1ALDH1A1SMN1; SMN2
SCHEMBL5211340 0.85 MAPT (0.41) MAPTKDM4ENPSR1MAPK1ALDH1A1
SCHEMBL5214912 0.84 TMEM97 (0.45) TMEM97SIGMAR1MAPTKDM4ENPSR1
SCHEMBL5208780 0.82 MAPT (0.42) LTA4HEPHX2MAPTKDM4ENPSR1
SCHEMBL5214147 0.80 MAPT (0.44) LTA4HEPHX2MAPTKDM4ENPSR1
SCHEMBL5207021 0.80 MAPT (0.44) LTA4HEPHX2MAPTKDM4ENPSR1
SCHEMBL5209675 0.80 KDM4E (0.48) TMEM97SIGMAR1MAPTKDM4ENPSR1
SCHEMBL5213028 0.80 CHRM1 (0.41) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL6611025 0.79 LTA4H (0.41) LTA4HEPHX2MAPTKDM4ENPSR1
SCHEMBL5211940 0.79 MAPT (0.45) LTA4HEPHX2MAPTKDM4ENPSR1

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 TMEM97 1914/4885SIGMAR1 1264/4885LTA4H 2682/4885

“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.